1,3-Cyclohexadiene-1-methanol, alpha,2,6,6-tetramethyl-, (+/-)-
TL;DR: 1,3-Cyclohexadiene-1-methanol, alpha,2,6,6-tetramethyl-, (+/-)- (CAS 102676-97-1) is a chemical compound with molecular formula C11H18O and molecular weight 166.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)ethanol
Also Known As: 1-(2,6,6-trimethyl-1,3-cyclohexadienyl)ethanol, 1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)ethanol, 1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)ethanol, 1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)ethanol #, 1,3-Cyclohexadiene-1-methanol, .alpha.,2,6,6-tetramethyl-, (.+/-.)-
| Molecular Formula | C11H18O |
|---|---|
| Molecular Weight | 166.14 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 | 166.13577 |
| Heavy Atoms | 12 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 102676-97-1 |
|---|---|
| SMILES | CC1=C(C(CC=C1)(C)C)C(C)O |
| InChIKey | BKHYAIKSJWYOPF-UHFFFAOYSA-N |
Product Overview
1,3-Cyclohexadiene-1-methanol, alpha,2,6,6-tetramethyl-, (+/-)- (CAS 102676-97-1), with molecular formula C11H18O and molecular weight 166.14 g/mol. IUPAC: 1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)ethanol.
Chemical Property Profile of 1,3-Cyclohexadiene-1-methanol, alpha,2,6,6-tetramethyl-, (+/-)-
Property Insights of 1,3-Cyclohexadiene-1-methanol, alpha,2,6,6-tetramethyl-, (+/-)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Cyclohexadiene-1-methanol, alpha,2,6,6-tetramethyl-, (+/-)-. With a topological polar surface area (TPSA) of 20.2 Ų, 1,3-Cyclohexadiene-1-methanol, alpha,2,6,6-tetramethyl-, (+/-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Cyclohexadiene-1-methanol, alpha,2,6,6-tetramethyl-, (+/-)- 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 1,3-Cyclohexadiene-1-methanol, alpha,2,6,6-tetramethyl-, (+/-)-?
The CAS number of 1,3-Cyclohexadiene-1-methanol, alpha,2,6,6-tetramethyl-, (+/-)- is 102676-97-1.
What is the molecular formula of 1,3-Cyclohexadiene-1-methanol, alpha,2,6,6-tetramethyl-, (+/-)-?
The molecular formula of 1,3-Cyclohexadiene-1-methanol, alpha,2,6,6-tetramethyl-, (+/-)- is C11H18O.
What is the molecular weight of 1,3-Cyclohexadiene-1-methanol, alpha,2,6,6-tetramethyl-, (+/-)-?
The molecular weight of 1,3-Cyclohexadiene-1-methanol, alpha,2,6,6-tetramethyl-, (+/-)- is 166.14 g/mol.
Where can I buy 1,3-Cyclohexadiene-1-methanol, alpha,2,6,6-tetramethyl-, (+/-)-?
You can request a quote for 1,3-Cyclohexadiene-1-methanol, alpha,2,6,6-tetramethyl-, (+/-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Cyclohexadiene-1-methanol, alpha,2,6,6-tetramethyl-, (+/-)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Cyclohexadiene-1-methanol, alpha,2,6,6-tetramethyl-, (+/-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.