3,3-Dimethyl-1-pentyne
TL;DR: 3,3-Dimethyl-1-pentyne (CAS 918-82-1) is a chemical compound with molecular formula C7H12 and molecular weight 96.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethylpent-1-yne
Also Known As: 3,3-dimethylpent-1-yne, 3,3-Dimethyl-1-pentyne, 1-Pentyne, 3,3-dimethyl-, Fmoc-Lys(Boc)-OPfp, 1-Pentyne,3-dimethyl-
| Molecular Formula | C7H12 |
|---|---|
| Molecular Weight | 96.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 96.0939 |
| Heavy Atoms | 7 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 918-82-1 |
|---|---|
| SMILES | CCC(C)(C)C#C |
| InChIKey | KQIIKSQUHGGYCU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Dimethyl-1-pentyne (CAS 918-82-1), with molecular formula C7H12 and molecular weight 96.09 g/mol. IUPAC: 3,3-dimethylpent-1-yne.
Chemical Property Profile of 3,3-Dimethyl-1-pentyne
Property Insights of 3,3-Dimethyl-1-pentyne
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyl-1-pentyne. With a topological polar surface area (TPSA) of 0.0 Ų, 3,3-Dimethyl-1-pentyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-1-pentyne 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-Dimethyl-1-pentyne?
The CAS number of 3,3-Dimethyl-1-pentyne is 918-82-1.
What is the molecular formula of 3,3-Dimethyl-1-pentyne?
The molecular formula of 3,3-Dimethyl-1-pentyne is C7H12.
What is the molecular weight of 3,3-Dimethyl-1-pentyne?
The molecular weight of 3,3-Dimethyl-1-pentyne is 96.09 g/mol.
Where can I buy 3,3-Dimethyl-1-pentyne?
You can request a quote for 3,3-Dimethyl-1-pentyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethyl-1-pentyne?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-1-pentyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.