1,5-Dimethylhex-4-enyl isobutyrate
TL;DR: 1,5-Dimethylhex-4-enyl isobutyrate (CAS 85030-17-7) 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.
6-methylhept-5-en-2-yl 2-methylpropanoate
Also Known As: 1,5-Dimethylhex-4-enyl isobutyrate, EINECS 285-142-3, 6-methylhept-5-en-2-yl 2-methylpropanoate, 2-Methylpropanoic acid 1,5-dimethyl-4-hexenyl ester, Propanoic acid, 2-methyl-, 1,5-dimethyl-4-hexenyl ester
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.3205 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 200.36726 |
Chemical Identifiers
| CAS Number | 85030-17-7 |
|---|---|
| SMILES | CC(C)C(=O)OC(C)CCC=C(C)C |
Product Overview
1,5-Dimethylhex-4-enyl isobutyrate (CAS 85030-17-7), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: 6-methylhept-5-en-2-yl 2-methylpropanoate.
Chemical Property Profile of 1,5-Dimethylhex-4-enyl isobutyrate
Property Insights of 1,5-Dimethylhex-4-enyl isobutyrate
The XLogP value of 3.3205 indicates that 1,5-Dimethylhex-4-enyl isobutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1,5-Dimethylhex-4-enyl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Dimethylhex-4-enyl isobutyrate 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 1,5-Dimethylhex-4-enyl isobutyrate?
The CAS number of 1,5-Dimethylhex-4-enyl isobutyrate is 85030-17-7.
What is the molecular formula of 1,5-Dimethylhex-4-enyl isobutyrate?
The molecular formula of 1,5-Dimethylhex-4-enyl isobutyrate is C12H22O2.
What is the molecular weight of 1,5-Dimethylhex-4-enyl isobutyrate?
The molecular weight of 1,5-Dimethylhex-4-enyl isobutyrate is 198.16 g/mol.
Where can I buy 1,5-Dimethylhex-4-enyl isobutyrate?
You can request a quote for 1,5-Dimethylhex-4-enyl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Dimethylhex-4-enyl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Dimethylhex-4-enyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.