3,7-Dimethyloct-6-en-2-yl formate
TL;DR: 3,7-Dimethyloct-6-en-2-yl formate (CAS 97890-12-5) is a chemical compound with molecular formula C11H20O2 and molecular weight 184.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyloct-6-en-2-yl formate
Also Known As: 3,7-Dimethyloct-6-en-6-yl formate, 3,7-dimethyloct-6-en-2-yl formate, 2,6-dimethyloct-2-en-3-yl formate, 3,7-Dimethyl-6-octen-2-ol formate, EINECS 308-192-0
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 97890-12-5 |
|---|---|
| SMILES | CC(CCC=C(C)C)C(C)OC=O |
| InChIKey | VWNRYHUWZXJWBE-UHFFFAOYSA-N |
Product Overview
3,7-Dimethyloct-6-en-2-yl formate (CAS 97890-12-5), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: 3,7-dimethyloct-6-en-2-yl formate.
Chemical Property Profile of 3,7-Dimethyloct-6-en-2-yl formate
Property Insights of 3,7-Dimethyloct-6-en-2-yl formate
The XLogP value of 3.7 indicates that 3,7-Dimethyloct-6-en-2-yl formate 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-en-2-yl formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethyloct-6-en-2-yl formate 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-en-2-yl formate?
The CAS number of 3,7-Dimethyloct-6-en-2-yl formate is 97890-12-5.
What is the molecular formula of 3,7-Dimethyloct-6-en-2-yl formate?
The molecular formula of 3,7-Dimethyloct-6-en-2-yl formate is C11H20O2.
What is the molecular weight of 3,7-Dimethyloct-6-en-2-yl formate?
The molecular weight of 3,7-Dimethyloct-6-en-2-yl formate is 184.15 g/mol.
Where can I buy 3,7-Dimethyloct-6-en-2-yl formate?
You can request a quote for 3,7-Dimethyloct-6-en-2-yl formate 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-en-2-yl formate?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethyloct-6-en-2-yl formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.