4-Penten-2-ol, 4-methyl-
TL;DR: 4-Penten-2-ol, 4-methyl- (CAS 2004-67-3) is a chemical compound with molecular formula C6H12O and molecular weight 100.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylpent-4-en-2-ol
Also Known As: 4-Methyl-4-penten-2-ol, 4-Methylpent-4-en-2-ol, 4-Penten-2-ol, 4-methyl-, 4-Penten-2-ol,4-methyl-, 1,3-dimethyl-3-butene-1-ol
| Molecular Formula | C6H12O |
|---|---|
| Molecular Weight | 100.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 100.08881 |
| Heavy Atoms | 7 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 2004-67-3 |
|---|---|
| SMILES | CC(CC(=C)C)O |
| InChIKey | KPHPTSMXBAVNPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Penten-2-ol, 4-methyl- (CAS 2004-67-3), with molecular formula C6H12O and molecular weight 100.09 g/mol. IUPAC: 4-methylpent-4-en-2-ol.
Chemical Property Profile of 4-Penten-2-ol, 4-methyl-
Property Insights of 4-Penten-2-ol, 4-methyl-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Penten-2-ol, 4-methyl-. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Penten-2-ol, 4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Penten-2-ol, 4-methyl- 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 4-Penten-2-ol, 4-methyl-?
The CAS number of 4-Penten-2-ol, 4-methyl- is 2004-67-3.
What is the molecular formula of 4-Penten-2-ol, 4-methyl-?
The molecular formula of 4-Penten-2-ol, 4-methyl- is C6H12O.
What is the molecular weight of 4-Penten-2-ol, 4-methyl-?
The molecular weight of 4-Penten-2-ol, 4-methyl- is 100.09 g/mol.
Where can I buy 4-Penten-2-ol, 4-methyl-?
You can request a quote for 4-Penten-2-ol, 4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Penten-2-ol, 4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 4-Penten-2-ol, 4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.