3,3-二甲基丁炔
TL;DR: 3,3-二甲基丁炔 (CAS 917-92-0) is a chemical compound with molecular formula C6H10 and molecular weight 82.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-二甲基丁炔
3,3-dimethylbut-1-yne
Also Known As: 3,3-Dimethyl-1-Butyne, 3,3-dimethylbut-1-yne, tert-Butylacetylene, t-Butylacetylene, t-butyl acetylene
| Molecular Formula | C6H10 |
|---|---|
| Molecular Weight | 82.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 82.07825 |
| Heavy Atoms | 6 |
| Complexity | 73.0 |
| Vapor Pressure | 398.0 [mmHg] |
Chemical Identifiers
| CAS Number | 917-92-0 |
|---|---|
| SMILES | CC(C)(C)C#C |
| InChIKey | PPWNCLVNXGCGAF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-二甲基丁炔 (CAS 917-92-0), with molecular formula C6H10 and molecular weight 82.08 g/mol. IUPAC: 3,3-dimethylbut-1-yne.
Chemical Property Profile of 3,3-二甲基丁炔
Property Insights of 3,3-二甲基丁炔
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-二甲基丁炔. With a topological polar surface area (TPSA) of 0.0 Ų, 3,3-二甲基丁炔 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-二甲基丁炔 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 3,3-二甲基丁炔?
The CAS number of 3,3-二甲基丁炔 is 917-92-0.
What is the molecular formula of 3,3-二甲基丁炔?
The molecular formula of 3,3-二甲基丁炔 is C6H10.
What is the molecular weight of 3,3-二甲基丁炔?
The molecular weight of 3,3-二甲基丁炔 is 82.08 g/mol.
Where can I buy 3,3-二甲基丁炔?
You can request a quote for 3,3-二甲基丁炔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-二甲基丁炔?
Yes, KEHONG BIO provides custom synthesis services for 3,3-二甲基丁炔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.