6-Octen-3-ol, 4-ethenyl-4,7-dimethyl-
TL;DR: 6-Octen-3-ol, 4-ethenyl-4,7-dimethyl- (CAS 85136-05-6) is a chemical compound with molecular formula C12H22O and molecular weight 182.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethenyl-4,7-dimethyloct-6-en-3-ol
Also Known As: 6-Octen-3-ol, 4-ethenyl-4,7-dimethyl-, 4-ethenyl-4,7-dimethyloct-6-en-3-ol, 4,7-Dimethyl-4-vinyloct-6-en-3-ol, 4,7-Dimethyl-4-vinyl-6-octene-3-ol, 4-Ethenyl-4,7-dimethyl-6-octen-3-ol
| Molecular Formula | C12H22O |
|---|---|
| Molecular Weight | 182.17 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 182.16707 |
| Heavy Atoms | 13 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 85136-05-6 |
|---|---|
| SMILES | CCC(C(C)(CC=C(C)C)C=C)O |
| InChIKey | BLLRZXYXUWMGHJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Octen-3-ol, 4-ethenyl-4,7-dimethyl- (CAS 85136-05-6), with molecular formula C12H22O and molecular weight 182.17 g/mol. IUPAC: 4-ethenyl-4,7-dimethyloct-6-en-3-ol.
Chemical Property Profile of 6-Octen-3-ol, 4-ethenyl-4,7-dimethyl-
Property Insights of 6-Octen-3-ol, 4-ethenyl-4,7-dimethyl-
The XLogP value of 3.9 indicates that 6-Octen-3-ol, 4-ethenyl-4,7-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 6-Octen-3-ol, 4-ethenyl-4,7-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Octen-3-ol, 4-ethenyl-4,7-dimethyl- has 1 hydrogen bond donor(s) and 1 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 6-Octen-3-ol, 4-ethenyl-4,7-dimethyl-?
The CAS number of 6-Octen-3-ol, 4-ethenyl-4,7-dimethyl- is 85136-05-6.
What is the molecular formula of 6-Octen-3-ol, 4-ethenyl-4,7-dimethyl-?
The molecular formula of 6-Octen-3-ol, 4-ethenyl-4,7-dimethyl- is C12H22O.
What is the molecular weight of 6-Octen-3-ol, 4-ethenyl-4,7-dimethyl-?
The molecular weight of 6-Octen-3-ol, 4-ethenyl-4,7-dimethyl- is 182.17 g/mol.
Where can I buy 6-Octen-3-ol, 4-ethenyl-4,7-dimethyl-?
You can request a quote for 6-Octen-3-ol, 4-ethenyl-4,7-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Octen-3-ol, 4-ethenyl-4,7-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 6-Octen-3-ol, 4-ethenyl-4,7-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.