Benzene, (1,1-dimethylethoxy)-
TL;DR: Benzene, (1,1-dimethylethoxy)- (CAS 6669-13-2) is a chemical compound with molecular formula C10H14O and molecular weight 150.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylpropan-2-yl)oxybenzene
Also Known As: tert-Butoxybenzene, tert-Butyl phenyl ether, Phenyl-t-Butylether, Phenyl tert-butyl ether, t-Butoxybenzene
| Molecular Formula | C10H14O |
|---|---|
| Molecular Weight | 150.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 150.10446 |
| Heavy Atoms | 11 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 6669-13-2 |
|---|---|
| SMILES | CC(C)(C)OC1=CC=CC=C1 |
| InChIKey | PNKZBZPLRKCVLI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, (1,1-dimethylethoxy)- (CAS 6669-13-2), with molecular formula C10H14O and molecular weight 150.10 g/mol. IUPAC: (2-methylpropan-2-yl)oxybenzene.
Chemical Property Profile of Benzene, (1,1-dimethylethoxy)-
Property Insights of Benzene, (1,1-dimethylethoxy)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, (1,1-dimethylethoxy)-. With a topological polar surface area (TPSA) of 9.2 Ų, Benzene, (1,1-dimethylethoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, (1,1-dimethylethoxy)- 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 Benzene, (1,1-dimethylethoxy)-?
The CAS number of Benzene, (1,1-dimethylethoxy)- is 6669-13-2.
What is the molecular formula of Benzene, (1,1-dimethylethoxy)-?
The molecular formula of Benzene, (1,1-dimethylethoxy)- is C10H14O.
What is the molecular weight of Benzene, (1,1-dimethylethoxy)-?
The molecular weight of Benzene, (1,1-dimethylethoxy)- is 150.10 g/mol.
Where can I buy Benzene, (1,1-dimethylethoxy)-?
You can request a quote for Benzene, (1,1-dimethylethoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, (1,1-dimethylethoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, (1,1-dimethylethoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.