2,2-Dimethyl-1,3-butanediol
TL;DR: 2,2-Dimethyl-1,3-butanediol (CAS 76-35-7) is a chemical compound with molecular formula C6H14O2 and molecular weight 118.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylbutane-1,3-diol
Also Known As: 2,2-Dimethyl-1,3-butanediol, 2,2-dimethylbutane-1,3-diol, 2,3-butanediol, 1,3-BUTANEDIOL, 2,2-DIMETHYL-, 1, 2,2-dimethyl-
| Molecular Formula | C6H14O2 |
|---|---|
| Molecular Weight | 118.10 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 118.09938 |
| Heavy Atoms | 8 |
| Complexity | 68.0 |
Chemical Identifiers
| CAS Number | 76-35-7 |
|---|---|
| SMILES | CC(C(C)(C)CO)O |
| InChIKey | QXKKYNIWAYERHT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dimethyl-1,3-butanediol (CAS 76-35-7), with molecular formula C6H14O2 and molecular weight 118.10 g/mol. IUPAC: 2,2-dimethylbutane-1,3-diol.
Chemical Property Profile of 2,2-Dimethyl-1,3-butanediol
Property Insights of 2,2-Dimethyl-1,3-butanediol
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-1,3-butanediol. With a topological polar surface area (TPSA) of 40.5 Ų, 2,2-Dimethyl-1,3-butanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-1,3-butanediol 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-butanediol?
The CAS number of 2,2-Dimethyl-1,3-butanediol is 76-35-7.
What is the molecular formula of 2,2-Dimethyl-1,3-butanediol?
The molecular formula of 2,2-Dimethyl-1,3-butanediol is C6H14O2.
What is the molecular weight of 2,2-Dimethyl-1,3-butanediol?
The molecular weight of 2,2-Dimethyl-1,3-butanediol is 118.10 g/mol.
Where can I buy 2,2-Dimethyl-1,3-butanediol?
You can request a quote for 2,2-Dimethyl-1,3-butanediol 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-butanediol?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-1,3-butanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.