Butan-2-yl 6-(cyclohex-2-en-1-yl)hexanoate
TL;DR: Butan-2-yl 6-(cyclohex-2-en-1-yl)hexanoate (CAS 70019-68-0) is a chemical compound with molecular formula C16H28O2 and molecular weight 252.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl 6-cyclohex-2-en-1-ylhexanoate
Also Known As: butan-2-yl 6-(cyclohex-2-en-1-yl)hexanoate, 10-undecenal ethylene glycol acetal, butan-2-yl 6-cyclohex-2-en-1-ylhexanoate
| Molecular Formula | C16H28O2 |
|---|---|
| Molecular Weight | 252.21 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 252.20892 |
| Heavy Atoms | 18 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 70019-68-0 |
|---|---|
| SMILES | CCC(C)OC(=O)CCCCCC1CCCC=C1 |
| InChIKey | WLHQEBQUYJNYRS-UHFFFAOYSA-N |
Product Overview
Butan-2-yl 6-(cyclohex-2-en-1-yl)hexanoate (CAS 70019-68-0), with molecular formula C16H28O2 and molecular weight 252.21 g/mol. IUPAC: butan-2-yl 6-cyclohex-2-en-1-ylhexanoate.
Chemical Property Profile of Butan-2-yl 6-(cyclohex-2-en-1-yl)hexanoate
Property Insights of Butan-2-yl 6-(cyclohex-2-en-1-yl)hexanoate
The XLogP value of 5.4 indicates that Butan-2-yl 6-(cyclohex-2-en-1-yl)hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butan-2-yl 6-(cyclohex-2-en-1-yl)hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butan-2-yl 6-(cyclohex-2-en-1-yl)hexanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butan-2-yl 6-(cyclohex-2-en-1-yl)hexanoate?
The CAS number of Butan-2-yl 6-(cyclohex-2-en-1-yl)hexanoate is 70019-68-0.
What is the molecular formula of Butan-2-yl 6-(cyclohex-2-en-1-yl)hexanoate?
The molecular formula of Butan-2-yl 6-(cyclohex-2-en-1-yl)hexanoate is C16H28O2.
What is the molecular weight of Butan-2-yl 6-(cyclohex-2-en-1-yl)hexanoate?
The molecular weight of Butan-2-yl 6-(cyclohex-2-en-1-yl)hexanoate is 252.21 g/mol.
Where can I buy Butan-2-yl 6-(cyclohex-2-en-1-yl)hexanoate?
You can request a quote for Butan-2-yl 6-(cyclohex-2-en-1-yl)hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butan-2-yl 6-(cyclohex-2-en-1-yl)hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Butan-2-yl 6-(cyclohex-2-en-1-yl)hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.