3-Buten-2-ol,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
TL;DR: 3-Buten-2-ol,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- (CAS 472-80-0) is a chemical compound with molecular formula C13H22O and molecular weight 194.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol
Also Known As: beta-Ionol, Ionol,beta, Trans-beta-ionol, beta-Ionol, (E)-, (+/-)-Trans-beta-I(Eonol
| Molecular Formula | C13H22O |
|---|---|
| Molecular Weight | 194.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.16707 |
| Heavy Atoms | 14 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 472-80-0 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)C=CC(C)O |
| InChIKey | CNOPDZWOYFOHGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Buten-2-ol,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- (CAS 472-80-0), with molecular formula C13H22O and molecular weight 194.17 g/mol. IUPAC: 4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol.
Chemical Property Profile of 3-Buten-2-ol,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
Property Insights of 3-Buten-2-ol,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Buten-2-ol,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Buten-2-ol,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-2-ol,4-(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 3-Buten-2-ol,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-?
The CAS number of 3-Buten-2-ol,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- is 472-80-0.
What is the molecular formula of 3-Buten-2-ol,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-?
The molecular formula of 3-Buten-2-ol,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- is C13H22O.
What is the molecular weight of 3-Buten-2-ol,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-?
The molecular weight of 3-Buten-2-ol,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- is 194.17 g/mol.
Where can I buy 3-Buten-2-ol,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-?
You can request a quote for 3-Buten-2-ol,4-(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 3-Buten-2-ol,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-ol,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.