2,2-Dimethyl-4-butyrolactone
TL;DR: 2,2-Dimethyl-4-butyrolactone (CAS 3709-08-8) is a chemical compound with molecular formula C6H10O2 and molecular weight 114.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyloxolan-2-one
Also Known As: 3,3-dimethyloxolan-2-one, alpha,alpha-Dimethyl-gamma-butyrolactone, 3,3-dimethyldihydrofuran-2(3h)-one, alpha-DMgBL, Dimethylbutanolid
| Molecular Formula | C6H10O2 |
|---|---|
| Molecular Weight | 114.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.06808 |
| Heavy Atoms | 8 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 3709-08-8 |
|---|---|
| SMILES | CC1(CCOC1=O)C |
| InChIKey | UPVAIJPDWVTFKT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dimethyl-4-butyrolactone (CAS 3709-08-8), with molecular formula C6H10O2 and molecular weight 114.07 g/mol. IUPAC: 3,3-dimethyloxolan-2-one.
Chemical Property Profile of 2,2-Dimethyl-4-butyrolactone
Property Insights of 2,2-Dimethyl-4-butyrolactone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-4-butyrolactone. With a topological polar surface area (TPSA) of 26.3 Ų, 2,2-Dimethyl-4-butyrolactone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-4-butyrolactone has 0 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-4-butyrolactone?
The CAS number of 2,2-Dimethyl-4-butyrolactone is 3709-08-8.
What is the molecular formula of 2,2-Dimethyl-4-butyrolactone?
The molecular formula of 2,2-Dimethyl-4-butyrolactone is C6H10O2.
What is the molecular weight of 2,2-Dimethyl-4-butyrolactone?
The molecular weight of 2,2-Dimethyl-4-butyrolactone is 114.07 g/mol.
Where can I buy 2,2-Dimethyl-4-butyrolactone?
You can request a quote for 2,2-Dimethyl-4-butyrolactone 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-4-butyrolactone?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-4-butyrolactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.