3-Ethyl-4-methylheptane
TL;DR: 3-Ethyl-4-methylheptane (CAS 52896-91-0) is a chemical compound with molecular formula C10H22 and molecular weight 142.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-4-methylheptane
Also Known As: 3-Ethyl-4-methylheptane, Heptane, 3-ethyl-4-methyl-, 3-Ethyl-4-methylheptane #, JZBKRUIGSVOOIC-UHFFFAOYSA, JZBKRUIGSVOOIC-UHFFFAOYSA-
| Molecular Formula | C10H22 |
|---|---|
| Molecular Weight | 142.17 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 142.17215 |
| Heavy Atoms | 10 |
| Complexity | 62.0 |
Chemical Identifiers
| CAS Number | 52896-91-0 |
|---|---|
| SMILES | CCCC(C)C(CC)CC |
| InChIKey | JZBKRUIGSVOOIC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethyl-4-methylheptane (CAS 52896-91-0), with molecular formula C10H22 and molecular weight 142.17 g/mol. IUPAC: 3-ethyl-4-methylheptane.
Chemical Property Profile of 3-Ethyl-4-methylheptane
Property Insights of 3-Ethyl-4-methylheptane
The XLogP value of 5.1 indicates that 3-Ethyl-4-methylheptane 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-Ethyl-4-methylheptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-4-methylheptane has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Ethyl-4-methylheptane?
The CAS number of 3-Ethyl-4-methylheptane is 52896-91-0.
What is the molecular formula of 3-Ethyl-4-methylheptane?
The molecular formula of 3-Ethyl-4-methylheptane is C10H22.
What is the molecular weight of 3-Ethyl-4-methylheptane?
The molecular weight of 3-Ethyl-4-methylheptane is 142.17 g/mol.
Where can I buy 3-Ethyl-4-methylheptane?
You can request a quote for 3-Ethyl-4-methylheptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-4-methylheptane?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-4-methylheptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.