1-Cyclohexene-1-propanol, 2,6,6-trimethyl-
TL;DR: 1-Cyclohexene-1-propanol, 2,6,6-trimethyl- (CAS 54344-89-7) 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.
3-(2,6,6-trimethylcyclohexen-1-yl)propan-1-ol
Also Known As: 1-Cyclohexene-1-propanol, 2,6,6-trimethyl-, 3-(2,6,6-trimethyl-cyclohex-1-enyl)-propan-1-ol, 3-(2,6,6-trimethylcyclohexen-1-yl)propan-1-ol, 3-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-propanol #
| Molecular Formula | C12H22O |
|---|---|
| Molecular Weight | 182.17 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.16707 |
| Heavy Atoms | 13 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 54344-89-7 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)CCCO |
| InChIKey | OWIZBHRKPGPVJL-UHFFFAOYSA-N |
Product Overview
1-Cyclohexene-1-propanol, 2,6,6-trimethyl- (CAS 54344-89-7), with molecular formula C12H22O and molecular weight 182.17 g/mol. IUPAC: 3-(2,6,6-trimethylcyclohexen-1-yl)propan-1-ol.
Chemical Property Profile of 1-Cyclohexene-1-propanol, 2,6,6-trimethyl-
Property Insights of 1-Cyclohexene-1-propanol, 2,6,6-trimethyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyclohexene-1-propanol, 2,6,6-trimethyl-. With a topological polar surface area (TPSA) of 20.2 Ų, 1-Cyclohexene-1-propanol, 2,6,6-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyclohexene-1-propanol, 2,6,6-trimethyl- 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-Cyclohexene-1-propanol, 2,6,6-trimethyl-?
The CAS number of 1-Cyclohexene-1-propanol, 2,6,6-trimethyl- is 54344-89-7.
What is the molecular formula of 1-Cyclohexene-1-propanol, 2,6,6-trimethyl-?
The molecular formula of 1-Cyclohexene-1-propanol, 2,6,6-trimethyl- is C12H22O.
What is the molecular weight of 1-Cyclohexene-1-propanol, 2,6,6-trimethyl-?
The molecular weight of 1-Cyclohexene-1-propanol, 2,6,6-trimethyl- is 182.17 g/mol.
Where can I buy 1-Cyclohexene-1-propanol, 2,6,6-trimethyl-?
You can request a quote for 1-Cyclohexene-1-propanol, 2,6,6-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyclohexene-1-propanol, 2,6,6-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyclohexene-1-propanol, 2,6,6-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.