2-Methyl-2-(2-methylpropyl)oxirane
TL;DR: 2-Methyl-2-(2-methylpropyl)oxirane (CAS 53897-31-7) 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-methyl-2-(2-methylpropyl)oxirane
Also Known As: 2-Isobutyl-2-methyloxirane, 2-methyl-2-(2-methylpropyl)oxirane, 2-Isobutyl-2-methyloxirane #, 2-METHYL-2-ISOBUTYLOXIRANE, Oxirane, 2-methyl-2-(2-methylpropyl)-
| Molecular Formula | C7H14O |
|---|---|
| Molecular Weight | 114.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 114.10446 |
| Heavy Atoms | 8 |
| Complexity | 88.0 |
Chemical Identifiers
| CAS Number | 53897-31-7 |
|---|---|
| SMILES | CC(C)CC1(CO1)C |
| InChIKey | FUVFXUQKJGDAIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-2-(2-methylpropyl)oxirane (CAS 53897-31-7), with molecular formula C7H14O and molecular weight 114.10 g/mol. IUPAC: 2-methyl-2-(2-methylpropyl)oxirane.
Chemical Property Profile of 2-Methyl-2-(2-methylpropyl)oxirane
Property Insights of 2-Methyl-2-(2-methylpropyl)oxirane
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-2-(2-methylpropyl)oxirane. With a topological polar surface area (TPSA) of 12.5 Ų, 2-Methyl-2-(2-methylpropyl)oxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-2-(2-methylpropyl)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-Methyl-2-(2-methylpropyl)oxirane?
The CAS number of 2-Methyl-2-(2-methylpropyl)oxirane is 53897-31-7.
What is the molecular formula of 2-Methyl-2-(2-methylpropyl)oxirane?
The molecular formula of 2-Methyl-2-(2-methylpropyl)oxirane is C7H14O.
What is the molecular weight of 2-Methyl-2-(2-methylpropyl)oxirane?
The molecular weight of 2-Methyl-2-(2-methylpropyl)oxirane is 114.10 g/mol.
Where can I buy 2-Methyl-2-(2-methylpropyl)oxirane?
You can request a quote for 2-Methyl-2-(2-methylpropyl)oxirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-2-(2-methylpropyl)oxirane?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-2-(2-methylpropyl)oxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.