1,4-Pentadien-3-ol, 3-methyl-
TL;DR: 1,4-Pentadien-3-ol, 3-methyl- (CAS 918-86-5) is a chemical compound with molecular formula C6H10O and molecular weight 98.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylpenta-1,4-dien-3-ol
Also Known As: 3-methylpenta-1,4-dien-3-ol, 3-Methyl-1,4-pentadien-3-ol, 1,4-Pentadien-3-ol, 3-methyl-, 3-Methylpenta-1,4-diene-3-ol, 3-Methyl-1,4-pentadiene-3-ol
| Molecular Formula | C6H10O |
|---|---|
| Molecular Weight | 98.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 98.073166 |
| Heavy Atoms | 7 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 918-86-5 |
|---|---|
| SMILES | CC(C=C)(C=C)O |
| InChIKey | LNSCVZRMAHCQIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Pentadien-3-ol, 3-methyl- (CAS 918-86-5), with molecular formula C6H10O and molecular weight 98.07 g/mol. IUPAC: 3-methylpenta-1,4-dien-3-ol.
Chemical Property Profile of 1,4-Pentadien-3-ol, 3-methyl-
Property Insights of 1,4-Pentadien-3-ol, 3-methyl-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Pentadien-3-ol, 3-methyl-. With a topological polar surface area (TPSA) of 20.2 Ų, 1,4-Pentadien-3-ol, 3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Pentadien-3-ol, 3-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 1,4-Pentadien-3-ol, 3-methyl-?
The CAS number of 1,4-Pentadien-3-ol, 3-methyl- is 918-86-5.
What is the molecular formula of 1,4-Pentadien-3-ol, 3-methyl-?
The molecular formula of 1,4-Pentadien-3-ol, 3-methyl- is C6H10O.
What is the molecular weight of 1,4-Pentadien-3-ol, 3-methyl-?
The molecular weight of 1,4-Pentadien-3-ol, 3-methyl- is 98.07 g/mol.
Where can I buy 1,4-Pentadien-3-ol, 3-methyl-?
You can request a quote for 1,4-Pentadien-3-ol, 3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Pentadien-3-ol, 3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Pentadien-3-ol, 3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.