Hexanoic acid, 5-methyl-, 3-methyl-2-buten-1-yl ester
TL;DR: Hexanoic acid, 5-methyl-, 3-methyl-2-buten-1-yl ester (CAS 73003-75-5) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbut-2-enyl 5-methylhexanoate
Also Known As: Prenyl 5-methylhexanoate, 3-Methyl-2-butenyl 5-methylhexanoate, 3-methylbut-2-enyl 5-methylhexanoate, Hexanoic acid, 5-methyl-, 3-methyl-2-butenyl ester, Hexanoic acid, 5-methyl-, 3-methyl-2-buten-1-yl ester
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.3221 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 188.49841 |
Chemical Identifiers
| CAS Number | 73003-75-5 |
|---|---|
| SMILES | CC(C)CCCC(=O)OCC=C(C)C |
Product Overview
Hexanoic acid, 5-methyl-, 3-methyl-2-buten-1-yl ester (CAS 73003-75-5), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: 3-methylbut-2-enyl 5-methylhexanoate.
Chemical Property Profile of Hexanoic acid, 5-methyl-, 3-methyl-2-buten-1-yl ester
Property Insights of Hexanoic acid, 5-methyl-, 3-methyl-2-buten-1-yl ester
The XLogP value of 3.3221 indicates that Hexanoic acid, 5-methyl-, 3-methyl-2-buten-1-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hexanoic acid, 5-methyl-, 3-methyl-2-buten-1-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanoic acid, 5-methyl-, 3-methyl-2-buten-1-yl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexanoic acid, 5-methyl-, 3-methyl-2-buten-1-yl ester?
The CAS number of Hexanoic acid, 5-methyl-, 3-methyl-2-buten-1-yl ester is 73003-75-5.
What is the molecular formula of Hexanoic acid, 5-methyl-, 3-methyl-2-buten-1-yl ester?
The molecular formula of Hexanoic acid, 5-methyl-, 3-methyl-2-buten-1-yl ester is C12H22O2.
What is the molecular weight of Hexanoic acid, 5-methyl-, 3-methyl-2-buten-1-yl ester?
The molecular weight of Hexanoic acid, 5-methyl-, 3-methyl-2-buten-1-yl ester is 198.16 g/mol.
Where can I buy Hexanoic acid, 5-methyl-, 3-methyl-2-buten-1-yl ester?
You can request a quote for Hexanoic acid, 5-methyl-, 3-methyl-2-buten-1-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanoic acid, 5-methyl-, 3-methyl-2-buten-1-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 5-methyl-, 3-methyl-2-buten-1-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.