2,2-Dimethyl-1,3-pentanediol
TL;DR: 2,2-Dimethyl-1,3-pentanediol (CAS 2157-31-5) is a chemical compound with molecular formula C7H16O2 and molecular weight 132.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpentane-1,3-diol
Also Known As: 2,2-Dimethyl-1,3-pentanediol, 2,2-dimethylpentane-1,3-diol, 1,3-Pentanediol, 2,2-dimethyl-, 2,2,4-Trimethylbutandiol-1,3, 2.2-Dimethylpentandiol-1.3
| Molecular Formula | C7H16O2 |
|---|---|
| Molecular Weight | 132.12 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 132.11504 |
| Heavy Atoms | 9 |
| Complexity | 79.0 |
Chemical Identifiers
| CAS Number | 2157-31-5 |
|---|---|
| SMILES | CCC(C(C)(C)CO)O |
| InChIKey | QHDADHHODABHLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dimethyl-1,3-pentanediol (CAS 2157-31-5), with molecular formula C7H16O2 and molecular weight 132.12 g/mol. IUPAC: 2,2-dimethylpentane-1,3-diol.
Chemical Property Profile of 2,2-Dimethyl-1,3-pentanediol
Property Insights of 2,2-Dimethyl-1,3-pentanediol
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-1,3-pentanediol. With a topological polar surface area (TPSA) of 40.5 Ų, 2,2-Dimethyl-1,3-pentanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-1,3-pentanediol has 2 hydrogen bond donor(s) and 2 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 2,2-Dimethyl-1,3-pentanediol?
The CAS number of 2,2-Dimethyl-1,3-pentanediol is 2157-31-5.
What is the molecular formula of 2,2-Dimethyl-1,3-pentanediol?
The molecular formula of 2,2-Dimethyl-1,3-pentanediol is C7H16O2.
What is the molecular weight of 2,2-Dimethyl-1,3-pentanediol?
The molecular weight of 2,2-Dimethyl-1,3-pentanediol is 132.12 g/mol.
Where can I buy 2,2-Dimethyl-1,3-pentanediol?
You can request a quote for 2,2-Dimethyl-1,3-pentanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-1,3-pentanediol?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-1,3-pentanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.