5-Octen-2-ol,2-methyl-, (E)-(9CI)
TL;DR: 5-Octen-2-ol,2-methyl-, (E)-(9CI) (CAS 54684-71-8) is a chemical compound with molecular formula C9H18O and molecular weight 142.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyloct-5-en-2-ol
Also Known As: 5-Octen-2-ol,2-methyl-, (E)- (9CI), 5-Octen-2-ol,2-methyl-, (Z)- (9CI)
| Molecular Formula | C9H18O |
|---|---|
| Molecular Weight | 142.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 142.13577 |
| Heavy Atoms | 10 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 54684-71-8 |
|---|---|
| SMILES | CCC=CCCC(C)(C)O |
| InChIKey | LGAOBFAFWKTUEZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Octen-2-ol,2-methyl-, (E)-(9CI) (CAS 54684-71-8), with molecular formula C9H18O and molecular weight 142.14 g/mol. IUPAC: 2-methyloct-5-en-2-ol.
Chemical Property Profile of 5-Octen-2-ol,2-methyl-, (E)-(9CI)
Property Insights of 5-Octen-2-ol,2-methyl-, (E)-(9CI)
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Octen-2-ol,2-methyl-, (E)-(9CI). With a topological polar surface area (TPSA) of 20.2 Ų, 5-Octen-2-ol,2-methyl-, (E)-(9CI) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Octen-2-ol,2-methyl-, (E)-(9CI) 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 5-Octen-2-ol,2-methyl-, (E)-(9CI)?
The CAS number of 5-Octen-2-ol,2-methyl-, (E)-(9CI) is 54684-71-8.
What is the molecular formula of 5-Octen-2-ol,2-methyl-, (E)-(9CI)?
The molecular formula of 5-Octen-2-ol,2-methyl-, (E)-(9CI) is C9H18O.
What is the molecular weight of 5-Octen-2-ol,2-methyl-, (E)-(9CI)?
The molecular weight of 5-Octen-2-ol,2-methyl-, (E)-(9CI) is 142.14 g/mol.
Where can I buy 5-Octen-2-ol,2-methyl-, (E)-(9CI)?
You can request a quote for 5-Octen-2-ol,2-methyl-, (E)-(9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Octen-2-ol,2-methyl-, (E)-(9CI)?
Yes, KEHONG BIO provides custom synthesis services for 5-Octen-2-ol,2-methyl-, (E)-(9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.