Oxirane, 3-(1,1-dimethylethyl)-2,2-dimethyl-
TL;DR: Oxirane, 3-(1,1-dimethylethyl)-2,2-dimethyl- (CAS 96-06-0) 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.
3-tert-butyl-2,2-dimethyloxirane
Also Known As: 2-Isopropylcyclohexan-1-ol, 2,3-Epoxy-2,4,4-trimethylpentane, 3-tert-butyl-2,2-dimethyloxirane, 2,4,4-Trimethyl-2-pentene oxide, 2,2-Dimethyl-3-tert-butyloxirane
| Molecular Formula | C8H16O |
|---|---|
| Molecular Weight | 128.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 128.12012 |
| Heavy Atoms | 9 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 96-06-0 |
|---|---|
| SMILES | CC1(C(O1)C(C)(C)C)C |
| InChIKey | OUYYZNFRPHQCIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oxirane, 3-(1,1-dimethylethyl)-2,2-dimethyl- (CAS 96-06-0), with molecular formula C8H16O and molecular weight 128.12 g/mol. IUPAC: 3-tert-butyl-2,2-dimethyloxirane.
Chemical Property Profile of Oxirane, 3-(1,1-dimethylethyl)-2,2-dimethyl-
Property Insights of Oxirane, 3-(1,1-dimethylethyl)-2,2-dimethyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxirane, 3-(1,1-dimethylethyl)-2,2-dimethyl-. With a topological polar surface area (TPSA) of 12.5 Ų, Oxirane, 3-(1,1-dimethylethyl)-2,2-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxirane, 3-(1,1-dimethylethyl)-2,2-dimethyl- 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-(1,1-dimethylethyl)-2,2-dimethyl-?
The CAS number of Oxirane, 3-(1,1-dimethylethyl)-2,2-dimethyl- is 96-06-0.
What is the molecular formula of Oxirane, 3-(1,1-dimethylethyl)-2,2-dimethyl-?
The molecular formula of Oxirane, 3-(1,1-dimethylethyl)-2,2-dimethyl- is C8H16O.
What is the molecular weight of Oxirane, 3-(1,1-dimethylethyl)-2,2-dimethyl-?
The molecular weight of Oxirane, 3-(1,1-dimethylethyl)-2,2-dimethyl- is 128.12 g/mol.
Where can I buy Oxirane, 3-(1,1-dimethylethyl)-2,2-dimethyl-?
You can request a quote for Oxirane, 3-(1,1-dimethylethyl)-2,2-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxirane, 3-(1,1-dimethylethyl)-2,2-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Oxirane, 3-(1,1-dimethylethyl)-2,2-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.