alpha,alpha-Diisopropylphenethyl alcohol
TL;DR: alpha,alpha-Diisopropylphenethyl alcohol (CAS 52065-71-1) is a chemical compound with molecular formula C14H22O and molecular weight 206.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2,4-dimethylpentan-3-ol
Also Known As: alpha,alpha-Diisopropylphenethyl alcohol, 3-benzyl-2,4-dimethylpentan-3-ol, 2,4-Dimethyl-3-benzyl-3-pentanol, alpha,alpha-Diisopropylbenzeneethanol, Benzeneethanol, a,a-bis(1-methylethyl)-
| Molecular Formula | C14H22O |
|---|---|
| Molecular Weight | 206.17 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.16707 |
| Heavy Atoms | 15 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 52065-71-1 |
|---|---|
| SMILES | CC(C)C(CC1=CC=CC=C1)(C(C)C)O |
| InChIKey | SCUFFASZSQKIIG-UHFFFAOYSA-N |
Product Overview
alpha,alpha-Diisopropylphenethyl alcohol (CAS 52065-71-1), with molecular formula C14H22O and molecular weight 206.17 g/mol. IUPAC: 3-benzyl-2,4-dimethylpentan-3-ol.
Chemical Property Profile of alpha,alpha-Diisopropylphenethyl alcohol
Property Insights of alpha,alpha-Diisopropylphenethyl alcohol
The XLogP value of 4.0 indicates that alpha,alpha-Diisopropylphenethyl alcohol 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,alpha-Diisopropylphenethyl alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha,alpha-Diisopropylphenethyl alcohol 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,alpha-Diisopropylphenethyl alcohol?
The CAS number of alpha,alpha-Diisopropylphenethyl alcohol is 52065-71-1.
What is the molecular formula of alpha,alpha-Diisopropylphenethyl alcohol?
The molecular formula of alpha,alpha-Diisopropylphenethyl alcohol is C14H22O.
What is the molecular weight of alpha,alpha-Diisopropylphenethyl alcohol?
The molecular weight of alpha,alpha-Diisopropylphenethyl alcohol is 206.17 g/mol.
Where can I buy alpha,alpha-Diisopropylphenethyl alcohol?
You can request a quote for alpha,alpha-Diisopropylphenethyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha,alpha-Diisopropylphenethyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for alpha,alpha-Diisopropylphenethyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.