alpha,3,3-Trimethylbicyclo(2.2.1)heptane-2-butanol
TL;DR: alpha,3,3-Trimethylbicyclo(2.2.1)heptane-2-butanol (CAS 2226-14-4) is a chemical compound with molecular formula C14H26O and molecular weight 210.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-2-ol
Also Known As: alpha,3,3-Trimethylbicyclo(2.2.1)heptane-2-butanol, alpha,3,3-trimethylbicyclo[2.2.1]heptane-2-butanol, A,3,3-trimethylbicyclo(2.2.1)heptane-2-butanol, 3,3-Dimethylbicyclo[2.2.1]heptane-2-pentan-2-ol, 5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-2-ol
| Molecular Formula | C14H26O |
|---|---|
| Molecular Weight | 210.20 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.19836 |
| Heavy Atoms | 15 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 2226-14-4 |
|---|---|
| SMILES | CC(CCCC1C2CCC(C2)C1(C)C)O |
| InChIKey | MRENMCYNWXGZMV-UHFFFAOYSA-N |
Product Overview
alpha,3,3-Trimethylbicyclo(2.2.1)heptane-2-butanol (CAS 2226-14-4), with molecular formula C14H26O and molecular weight 210.20 g/mol. IUPAC: 5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-2-ol.
Chemical Property Profile of alpha,3,3-Trimethylbicyclo(2.2.1)heptane-2-butanol
Property Insights of alpha,3,3-Trimethylbicyclo(2.2.1)heptane-2-butanol
The XLogP value of 4.4 indicates that alpha,3,3-Trimethylbicyclo(2.2.1)heptane-2-butanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, alpha,3,3-Trimethylbicyclo(2.2.1)heptane-2-butanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha,3,3-Trimethylbicyclo(2.2.1)heptane-2-butanol 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 alpha,3,3-Trimethylbicyclo(2.2.1)heptane-2-butanol?
The CAS number of alpha,3,3-Trimethylbicyclo(2.2.1)heptane-2-butanol is 2226-14-4.
What is the molecular formula of alpha,3,3-Trimethylbicyclo(2.2.1)heptane-2-butanol?
The molecular formula of alpha,3,3-Trimethylbicyclo(2.2.1)heptane-2-butanol is C14H26O.
What is the molecular weight of alpha,3,3-Trimethylbicyclo(2.2.1)heptane-2-butanol?
The molecular weight of alpha,3,3-Trimethylbicyclo(2.2.1)heptane-2-butanol is 210.20 g/mol.
Where can I buy alpha,3,3-Trimethylbicyclo(2.2.1)heptane-2-butanol?
You can request a quote for alpha,3,3-Trimethylbicyclo(2.2.1)heptane-2-butanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha,3,3-Trimethylbicyclo(2.2.1)heptane-2-butanol?
Yes, KEHONG BIO provides custom synthesis services for alpha,3,3-Trimethylbicyclo(2.2.1)heptane-2-butanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.