3-Methyloctane
TL;DR: 3-Methyloctane (CAS 2216-33-3) is a chemical compound with molecular formula C9H20 and molecular weight 128.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyloctane
Also Known As: 3-METHYLOCTANE, Isononane, Octane, 3-methyl-, 3-methyl octane, 3-methyl-octane
| Molecular Formula | C9H20 |
|---|---|
| Molecular Weight | 128.16 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 128.1565 |
| Heavy Atoms | 9 |
| Complexity | 48.0 |
| Vapor Pressure | 6.25 [mmHg] |
Chemical Identifiers
| CAS Number | 2216-33-3 |
|---|---|
| SMILES | CCCCCC(C)CC |
| InChIKey | SEEOMASXHIJCDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyloctane (CAS 2216-33-3), with molecular formula C9H20 and molecular weight 128.16 g/mol. IUPAC: 3-methyloctane.
Chemical Property Profile of 3-Methyloctane
Property Insights of 3-Methyloctane
The XLogP value of 4.8 indicates that 3-Methyloctane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Methyloctane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyloctane has 0 hydrogen bond donor(s) and 0 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 3-Methyloctane?
The CAS number of 3-Methyloctane is 2216-33-3.
What is the molecular formula of 3-Methyloctane?
The molecular formula of 3-Methyloctane is C9H20.
What is the molecular weight of 3-Methyloctane?
The molecular weight of 3-Methyloctane is 128.16 g/mol.
Where can I buy 3-Methyloctane?
You can request a quote for 3-Methyloctane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyloctane?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyloctane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.