5,5-Dimethyl-3-heptyne
TL;DR: 5,5-Dimethyl-3-heptyne (CAS 23097-98-5) is a chemical compound with molecular formula C9H16 and molecular weight 124.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethylhept-3-yne
Also Known As: 5,5-DIMETHYL-3-HEPTYNE, 5,5-dimethylhept-3-yne, 3-Heptyne, 5,5-dimethyl-, 3-Heptyne,5,5-dimethyl-, RefChem:101044
| Molecular Formula | C9H16 |
|---|---|
| Molecular Weight | 124.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 124.1252 |
| Heavy Atoms | 9 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 23097-98-5 |
|---|---|
| SMILES | CCC#CC(C)(C)CC |
| InChIKey | YVYHUBIXJLIYRU-UHFFFAOYSA-N |
Product Overview
5,5-Dimethyl-3-heptyne (CAS 23097-98-5), with molecular formula C9H16 and molecular weight 124.13 g/mol. IUPAC: 5,5-dimethylhept-3-yne.
Chemical Property Profile of 5,5-Dimethyl-3-heptyne
Property Insights of 5,5-Dimethyl-3-heptyne
The XLogP value of 3.7 indicates that 5,5-Dimethyl-3-heptyne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 5,5-Dimethyl-3-heptyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Dimethyl-3-heptyne 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 5,5-Dimethyl-3-heptyne?
The CAS number of 5,5-Dimethyl-3-heptyne is 23097-98-5.
What is the molecular formula of 5,5-Dimethyl-3-heptyne?
The molecular formula of 5,5-Dimethyl-3-heptyne is C9H16.
What is the molecular weight of 5,5-Dimethyl-3-heptyne?
The molecular weight of 5,5-Dimethyl-3-heptyne is 124.13 g/mol.
Where can I buy 5,5-Dimethyl-3-heptyne?
You can request a quote for 5,5-Dimethyl-3-heptyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Dimethyl-3-heptyne?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-3-heptyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.