3-Isopropyl-4-methyl-1-pentyn-3-ol
TL;DR: 3-Isopropyl-4-methyl-1-pentyn-3-ol (CAS 5333-87-9) is a chemical compound with molecular formula C9H16O and molecular weight 140.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-propan-2-ylpent-1-yn-3-ol
Also Known As: 3-Isopropyl-4-methyl-1-pentyn-3-ol, 4-methyl-3-propan-2-ylpent-1-yn-3-ol, 3-isopropyl-4-methylpent-1-yn-3-ol, 1,1-Diisopropylpropargyl alcohol, 2-Methyl-3-isopropyl-4-pentyne-3-ol
| Molecular Formula | C9H16O |
|---|---|
| Molecular Weight | 140.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 140.12012 |
| Heavy Atoms | 10 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 5333-87-9 |
|---|---|
| SMILES | CC(C)C(C#C)(C(C)C)O |
| InChIKey | DIFXCBNNWBBNCA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Isopropyl-4-methyl-1-pentyn-3-ol (CAS 5333-87-9), with molecular formula C9H16O and molecular weight 140.12 g/mol. IUPAC: 4-methyl-3-propan-2-ylpent-1-yn-3-ol.
Chemical Property Profile of 3-Isopropyl-4-methyl-1-pentyn-3-ol
Property Insights of 3-Isopropyl-4-methyl-1-pentyn-3-ol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isopropyl-4-methyl-1-pentyn-3-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Isopropyl-4-methyl-1-pentyn-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isopropyl-4-methyl-1-pentyn-3-ol 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 3-Isopropyl-4-methyl-1-pentyn-3-ol?
The CAS number of 3-Isopropyl-4-methyl-1-pentyn-3-ol is 5333-87-9.
What is the molecular formula of 3-Isopropyl-4-methyl-1-pentyn-3-ol?
The molecular formula of 3-Isopropyl-4-methyl-1-pentyn-3-ol is C9H16O.
What is the molecular weight of 3-Isopropyl-4-methyl-1-pentyn-3-ol?
The molecular weight of 3-Isopropyl-4-methyl-1-pentyn-3-ol is 140.12 g/mol.
Where can I buy 3-Isopropyl-4-methyl-1-pentyn-3-ol?
You can request a quote for 3-Isopropyl-4-methyl-1-pentyn-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isopropyl-4-methyl-1-pentyn-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-Isopropyl-4-methyl-1-pentyn-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.