Oxirane, (3-methylbutyl)-
TL;DR: Oxirane, (3-methylbutyl)- (CAS 53229-41-7) is a chemical compound with molecular formula C7H14O and molecular weight 114.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylbutyl)oxirane
Also Known As: 2-(3-methylbutyl)oxirane, Oxirane, (3-methylbutyl)-, 1,2-Epoxy-5-methylhexane, Isoamylathylenoxyd, 2-Isopentyloxirane
| Molecular Formula | C7H14O |
|---|---|
| Molecular Weight | 114.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 114.10446 |
| Heavy Atoms | 8 |
| Complexity | 68.0 |
Chemical Identifiers
| CAS Number | 53229-41-7 |
|---|---|
| SMILES | CC(C)CCC1CO1 |
| InChIKey | XXVUOMFVRJIVLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oxirane, (3-methylbutyl)- (CAS 53229-41-7), with molecular formula C7H14O and molecular weight 114.10 g/mol. IUPAC: 2-(3-methylbutyl)oxirane.
Chemical Property Profile of Oxirane, (3-methylbutyl)-
Property Insights of Oxirane, (3-methylbutyl)-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxirane, (3-methylbutyl)-. With a topological polar surface area (TPSA) of 12.5 Ų, Oxirane, (3-methylbutyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxirane, (3-methylbutyl)- 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 Oxirane, (3-methylbutyl)-?
The CAS number of Oxirane, (3-methylbutyl)- is 53229-41-7.
What is the molecular formula of Oxirane, (3-methylbutyl)-?
The molecular formula of Oxirane, (3-methylbutyl)- is C7H14O.
What is the molecular weight of Oxirane, (3-methylbutyl)-?
The molecular weight of Oxirane, (3-methylbutyl)- is 114.10 g/mol.
Where can I buy Oxirane, (3-methylbutyl)-?
You can request a quote for Oxirane, (3-methylbutyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxirane, (3-methylbutyl)-?
Yes, KEHONG BIO provides custom synthesis services for Oxirane, (3-methylbutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.