![2-Cyclohexene-1-octanoic acid, 4-hexyl-5-[(hexyloxy)carbonyl]-, hexyl ester structure](/static/products/6854/68541-09-3.webp)
2-Cyclohexene-1-octanoic acid, 4-hexyl-5-[(hexyloxy)carbonyl]-, hexyl ester
TL;DR: 2-Cyclohexene-1-octanoic acid, 4-hexyl-5-[(hexyloxy)carbonyl]-, hexyl ester (CAS 68541-09-3) is a chemical compound with molecular formula C33H60O4 and molecular weight 520.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 5-(8-hexoxy-8-oxooctyl)-2-hexylcyclohex-3-ene-1-carboxylate
Also Known As: hexyl 2-hexyl-5-[8-(hexyloxy)-8-oxooctyl]cyclohex-3-ene-1-carboxylate, 2-Cyclohexene-1-octanoic acid, 4-hexyl-5-((hexyloxy)carbonyl)-, hexyl ester, 2-Cyclohexene-1-octanoic acid, 4-hexyl-5-[(hexyloxy)carbonyl]-, hexyl ester, hexyl 5-(8-hexoxy-8-oxooctyl)-2-hexylcyclohex-3-ene-1-carboxylate, 4-Hexyl-5-[(hexyloxy)carbonyl]-2-cyclohexene-1-octanoic acid hexyl ester
| Molecular Formula | C33H60O4 |
|---|---|
| Molecular Weight | 520.45 g/mol |
| LogP | 12.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 26 |
| Exact Mass | 520.44916 |
| Heavy Atoms | 37 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 68541-09-3 |
|---|---|
| SMILES | CCCCCCC1C=CC(CC1C(=O)OCCCCCC)CCCCCCCC(=O)OCCCCCC |
| InChIKey | AHUNJRSFXWDEES-UHFFFAOYSA-N |
Product Overview
2-Cyclohexene-1-octanoic acid, 4-hexyl-5-[(hexyloxy)carbonyl]-, hexyl ester (CAS 68541-09-3), with molecular formula C33H60O4 and molecular weight 520.45 g/mol. IUPAC: hexyl 5-(8-hexoxy-8-oxooctyl)-2-hexylcyclohex-3-ene-1-carboxylate.
Chemical Property Profile of 2-Cyclohexene-1-octanoic acid, 4-hexyl-5-[(hexyloxy)carbonyl]-, hexyl ester
Property Insights of 2-Cyclohexene-1-octanoic acid, 4-hexyl-5-[(hexyloxy)carbonyl]-, hexyl ester
The XLogP value of 12.0 indicates that 2-Cyclohexene-1-octanoic acid, 4-hexyl-5-[(hexyloxy)carbonyl]-, hexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Cyclohexene-1-octanoic acid, 4-hexyl-5-[(hexyloxy)carbonyl]-, hexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclohexene-1-octanoic acid, 4-hexyl-5-[(hexyloxy)carbonyl]-, hexyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Cyclohexene-1-octanoic acid, 4-hexyl-5-[(hexyloxy)carbonyl]-, hexyl ester?
The CAS number of 2-Cyclohexene-1-octanoic acid, 4-hexyl-5-[(hexyloxy)carbonyl]-, hexyl ester is 68541-09-3.
What is the molecular formula of 2-Cyclohexene-1-octanoic acid, 4-hexyl-5-[(hexyloxy)carbonyl]-, hexyl ester?
The molecular formula of 2-Cyclohexene-1-octanoic acid, 4-hexyl-5-[(hexyloxy)carbonyl]-, hexyl ester is C33H60O4.
What is the molecular weight of 2-Cyclohexene-1-octanoic acid, 4-hexyl-5-[(hexyloxy)carbonyl]-, hexyl ester?
The molecular weight of 2-Cyclohexene-1-octanoic acid, 4-hexyl-5-[(hexyloxy)carbonyl]-, hexyl ester is 520.45 g/mol.
Where can I buy 2-Cyclohexene-1-octanoic acid, 4-hexyl-5-[(hexyloxy)carbonyl]-, hexyl ester?
You can request a quote for 2-Cyclohexene-1-octanoic acid, 4-hexyl-5-[(hexyloxy)carbonyl]-, hexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclohexene-1-octanoic acid, 4-hexyl-5-[(hexyloxy)carbonyl]-, hexyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexene-1-octanoic acid, 4-hexyl-5-[(hexyloxy)carbonyl]-, hexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.