1-Hepten-3-OL
TL;DR: 1-Hepten-3-OL (CAS 4938-52-7) is a chemical compound with molecular formula C7H14O and molecular weight 114.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hept-1-en-3-ol
Also Known As: 1-HEPTEN-3-OL, hept-1-en-3-ol, 1-vinylpentanol, heptene-1-ol-3, Butyl vinyl carbinol
| Molecular Formula | C7H14O |
|---|---|
| Molecular Weight | 114.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 114.10446 |
| Heavy Atoms | 8 |
| Complexity | 59.0 |
| Density | 0.831-0.835 |
| Solubility | Insoluble in water; soluble in hexane and diethylether |
| Refractive Index | 1.430-1.437 |
Chemical Identifiers
| CAS Number | 4938-52-7 |
|---|---|
| SMILES | CCCCC(C=C)O |
| InChIKey | PZKFYTOLVRCMOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Hepten-3-OL (CAS 4938-52-7), with molecular formula C7H14O and molecular weight 114.10 g/mol. IUPAC: hept-1-en-3-ol.
Chemical Property Profile of 1-Hepten-3-OL
Property Insights of 1-Hepten-3-OL
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hepten-3-OL. With a topological polar surface area (TPSA) of 20.2 Ų, 1-Hepten-3-OL exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hepten-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 1-Hepten-3-OL?
The CAS number of 1-Hepten-3-OL is 4938-52-7.
What is the molecular formula of 1-Hepten-3-OL?
The molecular formula of 1-Hepten-3-OL is C7H14O.
What is the molecular weight of 1-Hepten-3-OL?
The molecular weight of 1-Hepten-3-OL is 114.10 g/mol.
Where can I buy 1-Hepten-3-OL?
You can request a quote for 1-Hepten-3-OL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hepten-3-OL?
Yes, KEHONG BIO provides custom synthesis services for 1-Hepten-3-OL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.