4-Methylhept-4-EN-3-OL
TL;DR: 4-Methylhept-4-EN-3-OL (CAS 87777-45-5) is a chemical compound with molecular formula C8H16O and molecular weight 128.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylhept-4-en-3-ol
Also Known As: 4-Methyl-4-hepten-3-ol, 4-METHYLHEPT-4-EN-3-OL, 4-Hepten-3-ol, 4-methyl-, (E)-
| Molecular Formula | C8H16O |
|---|---|
| Molecular Weight | 128.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.12012 |
| Heavy Atoms | 9 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 87777-45-5 |
|---|---|
| SMILES | CCC=C(C)C(CC)O |
| InChIKey | CVBRKUMLJLIZGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methylhept-4-EN-3-OL (CAS 87777-45-5), with molecular formula C8H16O and molecular weight 128.12 g/mol. IUPAC: 4-methylhept-4-en-3-ol.
Chemical Property Profile of 4-Methylhept-4-EN-3-OL
Property Insights of 4-Methylhept-4-EN-3-OL
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylhept-4-EN-3-OL. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Methylhept-4-EN-3-OL exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylhept-4-EN-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 4-Methylhept-4-EN-3-OL?
The CAS number of 4-Methylhept-4-EN-3-OL is 87777-45-5.
What is the molecular formula of 4-Methylhept-4-EN-3-OL?
The molecular formula of 4-Methylhept-4-EN-3-OL is C8H16O.
What is the molecular weight of 4-Methylhept-4-EN-3-OL?
The molecular weight of 4-Methylhept-4-EN-3-OL is 128.12 g/mol.
Where can I buy 4-Methylhept-4-EN-3-OL?
You can request a quote for 4-Methylhept-4-EN-3-OL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylhept-4-EN-3-OL?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylhept-4-EN-3-OL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.