3,7-Dimethyloct-6-enyl 2-ethylbutyrate
TL;DR: 3,7-Dimethyloct-6-enyl 2-ethylbutyrate (CAS 94021-96-2) is a chemical compound with molecular formula C16H30O2 and molecular weight 254.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyloct-6-enyl 2-ethylbutanoate
Also Known As: 3,7-Dimethyloct-6-enyl 2-ethylbutyrate, EINECS 301-488-0, 3,7-dimethyloct-6-enyl2-ethylbutyrate, 3,7-dimethyloct-6-enyl 2-ethylbutanoate, 3,7-DIMETHYLOCT-6-EN-1-YL 2-ETHYLBUTANOATE
| Molecular Formula | C16H30O2 |
|---|---|
| Molecular Weight | 254.22 g/mol |
| LogP | 4.7384 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 254.22458 |
| Heavy Atoms | 18 |
| Complexity | 247.82257 |
Chemical Identifiers
| CAS Number | 94021-96-2 |
|---|---|
| SMILES | CCC(CC)C(=O)OCCC(C)CCC=C(C)C |
Product Overview
3,7-Dimethyloct-6-enyl 2-ethylbutyrate (CAS 94021-96-2), with molecular formula C16H30O2 and molecular weight 254.22 g/mol. IUPAC: 3,7-dimethyloct-6-enyl 2-ethylbutanoate.
Chemical Property Profile of 3,7-Dimethyloct-6-enyl 2-ethylbutyrate
Property Insights of 3,7-Dimethyloct-6-enyl 2-ethylbutyrate
The XLogP value of 4.7384 indicates that 3,7-Dimethyloct-6-enyl 2-ethylbutyrate 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-ethylbutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethyloct-6-enyl 2-ethylbutyrate 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-ethylbutyrate?
The CAS number of 3,7-Dimethyloct-6-enyl 2-ethylbutyrate is 94021-96-2.
What is the molecular formula of 3,7-Dimethyloct-6-enyl 2-ethylbutyrate?
The molecular formula of 3,7-Dimethyloct-6-enyl 2-ethylbutyrate is C16H30O2.
What is the molecular weight of 3,7-Dimethyloct-6-enyl 2-ethylbutyrate?
The molecular weight of 3,7-Dimethyloct-6-enyl 2-ethylbutyrate is 254.22 g/mol.
Where can I buy 3,7-Dimethyloct-6-enyl 2-ethylbutyrate?
You can request a quote for 3,7-Dimethyloct-6-enyl 2-ethylbutyrate 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-ethylbutyrate?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethyloct-6-enyl 2-ethylbutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.