4,4-Dimethyl-3-methylidenepent-1-yne
TL;DR: 4,4-Dimethyl-3-methylidenepent-1-yne (CAS 2809-84-9) is a chemical compound with molecular formula C8H12 and molecular weight 108.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-3-methylidenepent-1-yne
Also Known As: 2-tert-Butyl-1-buten-3-yne, 1-Buten-3-yne, 2-tert-butyl-, 2-tert-Butyl-1-buten-3-yne #, 4,4-dimethyl-3-methylidenepent-1-yne, 2,2-dimethyl-3-methylene-4-pentyne
| Molecular Formula | C8H12 |
|---|---|
| Molecular Weight | 108.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 108.0939 |
| Heavy Atoms | 8 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 2809-84-9 |
|---|---|
| SMILES | CC(C)(C)C(=C)C#C |
| InChIKey | QWHIQSWSAUCGGU-UHFFFAOYSA-N |
Product Overview
4,4-Dimethyl-3-methylidenepent-1-yne (CAS 2809-84-9), with molecular formula C8H12 and molecular weight 108.09 g/mol. IUPAC: 4,4-dimethyl-3-methylidenepent-1-yne.
Chemical Property Profile of 4,4-Dimethyl-3-methylidenepent-1-yne
Property Insights of 4,4-Dimethyl-3-methylidenepent-1-yne
The XLogP value of 3.2 indicates that 4,4-Dimethyl-3-methylidenepent-1-yne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4,4-Dimethyl-3-methylidenepent-1-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethyl-3-methylidenepent-1-yne 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 4,4-Dimethyl-3-methylidenepent-1-yne?
The CAS number of 4,4-Dimethyl-3-methylidenepent-1-yne is 2809-84-9.
What is the molecular formula of 4,4-Dimethyl-3-methylidenepent-1-yne?
The molecular formula of 4,4-Dimethyl-3-methylidenepent-1-yne is C8H12.
What is the molecular weight of 4,4-Dimethyl-3-methylidenepent-1-yne?
The molecular weight of 4,4-Dimethyl-3-methylidenepent-1-yne is 108.09 g/mol.
Where can I buy 4,4-Dimethyl-3-methylidenepent-1-yne?
You can request a quote for 4,4-Dimethyl-3-methylidenepent-1-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethyl-3-methylidenepent-1-yne?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-3-methylidenepent-1-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.