2-(3,3-Dimethylbutyl)oxirane
TL;DR: 2-(3,3-Dimethylbutyl)oxirane (CAS 53907-77-0) is a chemical compound with molecular formula C8H16O and molecular weight 128.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,3-dimethylbutyl)oxirane
Also Known As: Oxirane, 2-(3,3-Dimethylbutyl)oxirane, (3,3-dimethylbutyl)oxirane, Oxirane, (3,3-dimethylbutyl)-, 2-(3,3-dimethylbutyl)-oxirane
| Molecular Formula | C8H16O |
|---|---|
| Molecular Weight | 128.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.12012 |
| Heavy Atoms | 9 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 53907-77-0 |
|---|---|
| SMILES | CC(C)(C)CCC1CO1 |
| InChIKey | WAHCIOYRXXNHEZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3,3-Dimethylbutyl)oxirane (CAS 53907-77-0), with molecular formula C8H16O and molecular weight 128.12 g/mol. IUPAC: 2-(3,3-dimethylbutyl)oxirane.
Chemical Property Profile of 2-(3,3-Dimethylbutyl)oxirane
Property Insights of 2-(3,3-Dimethylbutyl)oxirane
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,3-Dimethylbutyl)oxirane. With a topological polar surface area (TPSA) of 12.5 Ų, 2-(3,3-Dimethylbutyl)oxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,3-Dimethylbutyl)oxirane has 0 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 2-(3,3-Dimethylbutyl)oxirane?
The CAS number of 2-(3,3-Dimethylbutyl)oxirane is 53907-77-0.
What is the molecular formula of 2-(3,3-Dimethylbutyl)oxirane?
The molecular formula of 2-(3,3-Dimethylbutyl)oxirane is C8H16O.
What is the molecular weight of 2-(3,3-Dimethylbutyl)oxirane?
The molecular weight of 2-(3,3-Dimethylbutyl)oxirane is 128.12 g/mol.
Where can I buy 2-(3,3-Dimethylbutyl)oxirane?
You can request a quote for 2-(3,3-Dimethylbutyl)oxirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,3-Dimethylbutyl)oxirane?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,3-Dimethylbutyl)oxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.