Isopropyl 3,7-dimethyloct-6-enoate
TL;DR: Isopropyl 3,7-dimethyloct-6-enoate (CAS 26728-45-0) is a chemical compound with molecular formula C13H24O2 and molecular weight 212.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 3,7-dimethyloct-6-enoate
Also Known As: Isopropyl 3,7-dimethyloct-6-enoate, EINECS 247-946-2, propan-2-yl 3,7-dimethyloct-6-enoate, 1-Methylethyl 3,7-dimethyl-6-octenoate, 3,7-Dimethyl-6-octenoic acid 1-methylethyl ester
| Molecular Formula | C13H24O2 |
|---|---|
| Molecular Weight | 212.18 g/mol |
| LogP | 3.7106 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 212.17763 |
| Heavy Atoms | 15 |
| Complexity | 212.57584 |
Chemical Identifiers
| CAS Number | 26728-45-0 |
|---|---|
| SMILES | CC(C)OC(=O)CC(C)CCC=C(C)C |
Product Overview
Isopropyl 3,7-dimethyloct-6-enoate (CAS 26728-45-0), with molecular formula C13H24O2 and molecular weight 212.18 g/mol. IUPAC: propan-2-yl 3,7-dimethyloct-6-enoate.
Chemical Property Profile of Isopropyl 3,7-dimethyloct-6-enoate
Property Insights of Isopropyl 3,7-dimethyloct-6-enoate
The XLogP value of 3.7106 indicates that Isopropyl 3,7-dimethyloct-6-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Isopropyl 3,7-dimethyloct-6-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 3,7-dimethyloct-6-enoate 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 Isopropyl 3,7-dimethyloct-6-enoate?
The CAS number of Isopropyl 3,7-dimethyloct-6-enoate is 26728-45-0.
What is the molecular formula of Isopropyl 3,7-dimethyloct-6-enoate?
The molecular formula of Isopropyl 3,7-dimethyloct-6-enoate is C13H24O2.
What is the molecular weight of Isopropyl 3,7-dimethyloct-6-enoate?
The molecular weight of Isopropyl 3,7-dimethyloct-6-enoate is 212.18 g/mol.
Where can I buy Isopropyl 3,7-dimethyloct-6-enoate?
You can request a quote for Isopropyl 3,7-dimethyloct-6-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 3,7-dimethyloct-6-enoate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 3,7-dimethyloct-6-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.