Isocyclogeraniol
TL;DR: Isocyclogeraniol (CAS 68527-77-5) is a chemical compound with molecular formula C10H18O and molecular weight 154.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4,6-trimethylcyclohex-3-en-1-yl)methanol
Also Known As: Isocyclogeraniol, 3-Cyclohexene-1-methanol, 2,4,6-trimethyl-, Trimethyl cyclohexene methanol, (2,4,6-trimethylcyclohex-3-en-1-yl)methanol, 2,4,6-trimethyl-3-cyclohexene-1-methanol
| Molecular Formula | C10H18O |
|---|---|
| Molecular Weight | 154.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.13577 |
| Heavy Atoms | 11 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 68527-77-5 |
|---|---|
| SMILES | CC1CC(=CC(C1CO)C)C |
| InChIKey | DMXUBGVVJLVCPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isocyclogeraniol (CAS 68527-77-5), with molecular formula C10H18O and molecular weight 154.14 g/mol. IUPAC: (2,4,6-trimethylcyclohex-3-en-1-yl)methanol.
Chemical Property Profile of Isocyclogeraniol
Property Insights of Isocyclogeraniol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isocyclogeraniol. With a topological polar surface area (TPSA) of 20.2 Ų, Isocyclogeraniol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isocyclogeraniol 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 Isocyclogeraniol?
The CAS number of Isocyclogeraniol is 68527-77-5.
What is the molecular formula of Isocyclogeraniol?
The molecular formula of Isocyclogeraniol is C10H18O.
What is the molecular weight of Isocyclogeraniol?
The molecular weight of Isocyclogeraniol is 154.14 g/mol.
Where can I buy Isocyclogeraniol?
You can request a quote for Isocyclogeraniol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isocyclogeraniol?
Yes, KEHONG BIO provides custom synthesis services for Isocyclogeraniol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.