2-(2,2-Dimethylpropyl)oxirane
TL;DR: 2-(2,2-Dimethylpropyl)oxirane (CAS 2245-29-6) 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-(2,2-dimethylpropyl)oxirane
Also Known As: Neopentyloxirane, 2-Neopentyloxirane #, 2-(2,2-dimethylpropyl)oxirane, Oxirane, (2,2-dimethylpropyl)-, (2,2-dimethylpropyl)oxirane
| Molecular Formula | C7H14O |
|---|---|
| Molecular Weight | 114.10 g/mol |
| LogP | 2.0 |
| 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 | 80.0 |
Chemical Identifiers
| CAS Number | 2245-29-6 |
|---|---|
| SMILES | CC(C)(C)CC1CO1 |
| InChIKey | JFNMDOCPBNQNQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2,2-Dimethylpropyl)oxirane (CAS 2245-29-6), with molecular formula C7H14O and molecular weight 114.10 g/mol. IUPAC: 2-(2,2-dimethylpropyl)oxirane.
Chemical Property Profile of 2-(2,2-Dimethylpropyl)oxirane
Property Insights of 2-(2,2-Dimethylpropyl)oxirane
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,2-Dimethylpropyl)oxirane. With a topological polar surface area (TPSA) of 12.5 Ų, 2-(2,2-Dimethylpropyl)oxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,2-Dimethylpropyl)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-(2,2-Dimethylpropyl)oxirane?
The CAS number of 2-(2,2-Dimethylpropyl)oxirane is 2245-29-6.
What is the molecular formula of 2-(2,2-Dimethylpropyl)oxirane?
The molecular formula of 2-(2,2-Dimethylpropyl)oxirane is C7H14O.
What is the molecular weight of 2-(2,2-Dimethylpropyl)oxirane?
The molecular weight of 2-(2,2-Dimethylpropyl)oxirane is 114.10 g/mol.
Where can I buy 2-(2,2-Dimethylpropyl)oxirane?
You can request a quote for 2-(2,2-Dimethylpropyl)oxirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,2-Dimethylpropyl)oxirane?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,2-Dimethylpropyl)oxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.