3-Penten-1-yne, 4-methyl-3-(1-methylethyl)-
TL;DR: 3-Penten-1-yne, 4-methyl-3-(1-methylethyl)- (CAS 61786-07-0) is a chemical compound with molecular formula C9H14 and molecular weight 122.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-propan-2-ylpent-3-en-1-yne
Also Known As: 3-Penten-1-yne, 4-methyl-3-(1-methylethyl)-, 2-Pentene,3-ethynyl-2,4-dimethyl-, 4-methyl-3-propan-2-ylpent-3-en-1-yne, 4-Methyl-3-(propan-2-yl)pent-3-en-1-yne
| Molecular Formula | C9H14 |
|---|---|
| Molecular Weight | 122.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 122.10955 |
| Heavy Atoms | 9 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 61786-07-0 |
|---|---|
| SMILES | CC(C)C(=C(C)C)C#C |
| InChIKey | KKGAIKSIOQULJJ-UHFFFAOYSA-N |
Product Overview
3-Penten-1-yne, 4-methyl-3-(1-methylethyl)- (CAS 61786-07-0), with molecular formula C9H14 and molecular weight 122.11 g/mol. IUPAC: 4-methyl-3-propan-2-ylpent-3-en-1-yne.
Chemical Property Profile of 3-Penten-1-yne, 4-methyl-3-(1-methylethyl)-
Property Insights of 3-Penten-1-yne, 4-methyl-3-(1-methylethyl)-
The XLogP value of 3.6 indicates that 3-Penten-1-yne, 4-methyl-3-(1-methylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Penten-1-yne, 4-methyl-3-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Penten-1-yne, 4-methyl-3-(1-methylethyl)- 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-Penten-1-yne, 4-methyl-3-(1-methylethyl)-?
The CAS number of 3-Penten-1-yne, 4-methyl-3-(1-methylethyl)- is 61786-07-0.
What is the molecular formula of 3-Penten-1-yne, 4-methyl-3-(1-methylethyl)-?
The molecular formula of 3-Penten-1-yne, 4-methyl-3-(1-methylethyl)- is C9H14.
What is the molecular weight of 3-Penten-1-yne, 4-methyl-3-(1-methylethyl)-?
The molecular weight of 3-Penten-1-yne, 4-methyl-3-(1-methylethyl)- is 122.11 g/mol.
Where can I buy 3-Penten-1-yne, 4-methyl-3-(1-methylethyl)-?
You can request a quote for 3-Penten-1-yne, 4-methyl-3-(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Penten-1-yne, 4-methyl-3-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Penten-1-yne, 4-methyl-3-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.