1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
TL;DR: 1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)- (CAS 93840-90-5) is a chemical compound with molecular formula C14H24O and molecular weight 208.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-ol
Also Known As: Methyl beta-ionol, METHYL, A IONOL, METHYL BETA IONOL, 1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
| Molecular Formula | C14H24O |
|---|---|
| Molecular Weight | 208.18 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.18271 |
| Heavy Atoms | 15 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 93840-90-5 |
|---|---|
| SMILES | CCC(C=CC1=C(CCCC1(C)C)C)O |
| InChIKey | DZSNHSUUMHDJRJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)- (CAS 93840-90-5), with molecular formula C14H24O and molecular weight 208.18 g/mol. IUPAC: 1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-ol.
Chemical Property Profile of 1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
Property Insights of 1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
The XLogP value of 3.4 indicates that 1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)- 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 1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-?
The CAS number of 1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)- is 93840-90-5.
What is the molecular formula of 1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-?
The molecular formula of 1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)- is C14H24O.
What is the molecular weight of 1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-?
The molecular weight of 1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)- is 208.18 g/mol.
Where can I buy 1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-?
You can request a quote for 1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.