2,3-二甲基-1-丁烯
TL;DR: 2,3-二甲基-1-丁烯 (CAS 563-78-0) 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.
2,3-二甲基-1-丁烯
2,3-dimethylbut-1-ene
Also Known As: 2,3-DIMETHYL-1-BUTENE, 2,3-Dimethylbut-1-ene, 1-Butene, 2,3-dimethyl-, 2,3-dimethylbutene, 2,3-Dimethylbutene-1
| Molecular Formula | C6H12 |
|---|---|
| Molecular Weight | 84.09 g/mol |
| LogP | 2.8 |
| 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 | 51.0 |
| Vapor Pressure | 252.0 [mmHg] |
Chemical Identifiers
| CAS Number | 563-78-0 |
|---|---|
| SMILES | CC(C)C(=C)C |
| InChIKey | OWWIWYDDISJUMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-二甲基-1-丁烯 (CAS 563-78-0), with molecular formula C6H12 and molecular weight 84.09 g/mol. IUPAC: 2,3-dimethylbut-1-ene.
Chemical Property Profile of 2,3-二甲基-1-丁烯
Property Insights of 2,3-二甲基-1-丁烯
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-二甲基-1-丁烯. With a topological polar surface area (TPSA) of 0.0 Ų, 2,3-二甲基-1-丁烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-二甲基-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 2,3-二甲基-1-丁烯?
The CAS number of 2,3-二甲基-1-丁烯 is 563-78-0.
What is the molecular formula of 2,3-二甲基-1-丁烯?
The molecular formula of 2,3-二甲基-1-丁烯 is C6H12.
What is the molecular weight of 2,3-二甲基-1-丁烯?
The molecular weight of 2,3-二甲基-1-丁烯 is 84.09 g/mol.
Where can I buy 2,3-二甲基-1-丁烯?
You can request a quote for 2,3-二甲基-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 2,3-二甲基-1-丁烯?
Yes, KEHONG BIO provides custom synthesis services for 2,3-二甲基-1-丁烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.