3,3-二甲基-1-丁烯
TL;DR: 3,3-二甲基-1-丁烯 (CAS 558-37-2) is a chemical compound with molecular formula C6H12 and molecular weight 84.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-二甲基-1-丁烯
3,3-dimethylbut-1-ene
Also Known As: 3,3-DIMETHYL-1-BUTENE, Neohexene, 3,3-Dimethylbut-1-ene, tert-Butylethylene, tert-Butylethene
| Molecular Formula | C6H12 |
|---|---|
| Molecular Weight | 84.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 84.0939 |
| Heavy Atoms | 6 |
| Complexity | 45.0 |
| Vapor Pressure | 431.0 [mmHg] |
Chemical Identifiers
| CAS Number | 558-37-2 |
|---|---|
| SMILES | CC(C)(C)C=C |
| InChIKey | PKXHXOTZMFCXSH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-二甲基-1-丁烯 (CAS 558-37-2), with molecular formula C6H12 and molecular weight 84.09 g/mol. IUPAC: 3,3-dimethylbut-1-ene.
Chemical Property Profile of 3,3-二甲基-1-丁烯
Property Insights of 3,3-二甲基-1-丁烯
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-二甲基-1-丁烯. With a topological polar surface area (TPSA) of 0.0 Ų, 3,3-二甲基-1-丁烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-二甲基-1-丁烯 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 3,3-二甲基-1-丁烯?
The CAS number of 3,3-二甲基-1-丁烯 is 558-37-2.
What is the molecular formula of 3,3-二甲基-1-丁烯?
The molecular formula of 3,3-二甲基-1-丁烯 is C6H12.
What is the molecular weight of 3,3-二甲基-1-丁烯?
The molecular weight of 3,3-二甲基-1-丁烯 is 84.09 g/mol.
Where can I buy 3,3-二甲基-1-丁烯?
You can request a quote for 3,3-二甲基-1-丁烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-二甲基-1-丁烯?
Yes, KEHONG BIO provides custom synthesis services for 3,3-二甲基-1-丁烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.