Benzene, (1,1-dimethyl-2-butynyl)-
TL;DR: Benzene, (1,1-dimethyl-2-butynyl)- (CAS 1007-91-6) is a chemical compound with molecular formula C12H14 and molecular weight 158.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpent-3-yn-2-ylbenzene
Also Known As: 4-methyl-4-phenyl-2-pentyne, 2-methylpent-3-yn-2-ylbenzene, (1,1-Dimethyl-2-butynyl)benzene, (1,1-Dimethyl-2-butynyl)benzene #, Benzene, (1,1-dimethyl-2-butynyl)-
| Molecular Formula | C12H14 |
|---|---|
| Molecular Weight | 158.11 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.10954 |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 1007-91-6 |
|---|---|
| SMILES | CC#CC(C)(C)C1=CC=CC=C1 |
| InChIKey | QZCFTLVCIPDJRK-UHFFFAOYSA-N |
Product Overview
Benzene, (1,1-dimethyl-2-butynyl)- (CAS 1007-91-6), with molecular formula C12H14 and molecular weight 158.11 g/mol. IUPAC: 2-methylpent-3-yn-2-ylbenzene.
Chemical Property Profile of Benzene, (1,1-dimethyl-2-butynyl)-
Property Insights of Benzene, (1,1-dimethyl-2-butynyl)-
The XLogP value of 4.4 indicates that Benzene, (1,1-dimethyl-2-butynyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, (1,1-dimethyl-2-butynyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, (1,1-dimethyl-2-butynyl)- has 0 hydrogen bond donor(s) and 0 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-dimethyl-2-butynyl)-?
The CAS number of Benzene, (1,1-dimethyl-2-butynyl)- is 1007-91-6.
What is the molecular formula of Benzene, (1,1-dimethyl-2-butynyl)-?
The molecular formula of Benzene, (1,1-dimethyl-2-butynyl)- is C12H14.
What is the molecular weight of Benzene, (1,1-dimethyl-2-butynyl)-?
The molecular weight of Benzene, (1,1-dimethyl-2-butynyl)- is 158.11 g/mol.
Where can I buy Benzene, (1,1-dimethyl-2-butynyl)-?
You can request a quote for Benzene, (1,1-dimethyl-2-butynyl)- 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-dimethyl-2-butynyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, (1,1-dimethyl-2-butynyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.