1-Penten-4-yn-3-ol, 3-isopropyl-
TL;DR: 1-Penten-4-yn-3-ol, 3-isopropyl- (CAS 77008-96-9) is a chemical compound with molecular formula C8H12O and molecular weight 124.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-propan-2-ylpent-1-en-4-yn-3-ol
Also Known As: 3-Isopropyl-1-penten-4-yn-3-ol, 1-Penten-4-yn-3-ol, 3-isopropyl-, 3-isopropylpent-1-en-4-yn-3-ol, 3-propan-2-ylpent-1-en-4-yn-3-ol, 1-Penten-4-yn-3-ol, 3-(1-methylethyl)-
| Molecular Formula | C8H12O |
|---|---|
| Molecular Weight | 124.09 g/mol |
| LogP | 1.1927 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 124.08881 |
| Heavy Atoms | 9 |
| Complexity | 141.13686 |
Chemical Identifiers
| CAS Number | 77008-96-9 |
|---|---|
| SMILES | CC(C)C(C=C)(C#C)O |
Product Overview
1-Penten-4-yn-3-ol, 3-isopropyl- (CAS 77008-96-9), with molecular formula C8H12O and molecular weight 124.09 g/mol. IUPAC: 3-propan-2-ylpent-1-en-4-yn-3-ol.
Chemical Property Profile of 1-Penten-4-yn-3-ol, 3-isopropyl-
Property Insights of 1-Penten-4-yn-3-ol, 3-isopropyl-
The XLogP value of 1.1927 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Penten-4-yn-3-ol, 3-isopropyl-. With a topological polar surface area (TPSA) of 20.23 Ų, 1-Penten-4-yn-3-ol, 3-isopropyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Penten-4-yn-3-ol, 3-isopropyl- has 1 hydrogen bond donor(s) and 1 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 1-Penten-4-yn-3-ol, 3-isopropyl-?
The CAS number of 1-Penten-4-yn-3-ol, 3-isopropyl- is 77008-96-9.
What is the molecular formula of 1-Penten-4-yn-3-ol, 3-isopropyl-?
The molecular formula of 1-Penten-4-yn-3-ol, 3-isopropyl- is C8H12O.
What is the molecular weight of 1-Penten-4-yn-3-ol, 3-isopropyl-?
The molecular weight of 1-Penten-4-yn-3-ol, 3-isopropyl- is 124.09 g/mol.
Where can I buy 1-Penten-4-yn-3-ol, 3-isopropyl-?
You can request a quote for 1-Penten-4-yn-3-ol, 3-isopropyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Penten-4-yn-3-ol, 3-isopropyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Penten-4-yn-3-ol, 3-isopropyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.