3,7-Dimethyloct-6-enyl 2-methylbutyrate
TL;DR: 3,7-Dimethyloct-6-enyl 2-methylbutyrate (CAS 85409-36-5) is a chemical compound with molecular formula C15H28O2 and molecular weight 240.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyloct-6-enyl 2-methylbutanoate
Also Known As: Citronellyl 2-methylbutyrate, 3,7-Dimethyloct-6-enyl 2-methylbutyrate, CITRONELLYL-2-METHYLBUTYRATE, EINECS 287-104-1, citronellyl 2-methyl butyrate
| Molecular Formula | C15H28O2 |
|---|---|
| Molecular Weight | 240.21 g/mol |
| LogP | 4.3483 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 240.20892 |
| Heavy Atoms | 17 |
| Complexity | 239.30638 |
Chemical Identifiers
| CAS Number | 85409-36-5 |
|---|---|
| SMILES | CCC(C)C(=O)OCCC(C)CCC=C(C)C |
Product Overview
3,7-Dimethyloct-6-enyl 2-methylbutyrate (CAS 85409-36-5), with molecular formula C15H28O2 and molecular weight 240.21 g/mol. IUPAC: 3,7-dimethyloct-6-enyl 2-methylbutanoate.
Chemical Property Profile of 3,7-Dimethyloct-6-enyl 2-methylbutyrate
Property Insights of 3,7-Dimethyloct-6-enyl 2-methylbutyrate
The XLogP value of 4.3483 indicates that 3,7-Dimethyloct-6-enyl 2-methylbutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3,7-Dimethyloct-6-enyl 2-methylbutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethyloct-6-enyl 2-methylbutyrate 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 3,7-Dimethyloct-6-enyl 2-methylbutyrate?
The CAS number of 3,7-Dimethyloct-6-enyl 2-methylbutyrate is 85409-36-5.
What is the molecular formula of 3,7-Dimethyloct-6-enyl 2-methylbutyrate?
The molecular formula of 3,7-Dimethyloct-6-enyl 2-methylbutyrate is C15H28O2.
What is the molecular weight of 3,7-Dimethyloct-6-enyl 2-methylbutyrate?
The molecular weight of 3,7-Dimethyloct-6-enyl 2-methylbutyrate is 240.21 g/mol.
Where can I buy 3,7-Dimethyloct-6-enyl 2-methylbutyrate?
You can request a quote for 3,7-Dimethyloct-6-enyl 2-methylbutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dimethyloct-6-enyl 2-methylbutyrate?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethyloct-6-enyl 2-methylbutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.