3-Methylidenehexane
TL;DR: 3-Methylidenehexane (CAS 3404-71-5) is a chemical compound with molecular formula C7H14 and molecular weight 98.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylidenehexane
Also Known As: 2-ethyl-1-pentene, 3-methylidenehexane, 3-methylene-hexane, 1-Pentene, 2-ethyl-, 2-Ethylpent-1-ene
| Molecular Formula | C7H14 |
|---|---|
| Molecular Weight | 98.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 98.10955 |
| Heavy Atoms | 7 |
| Complexity | 53.0 |
Chemical Identifiers
| CAS Number | 3404-71-5 |
|---|---|
| SMILES | CCCC(=C)CC |
| InChIKey | TWCRBBJSQAZZQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylidenehexane (CAS 3404-71-5), with molecular formula C7H14 and molecular weight 98.11 g/mol. IUPAC: 3-methylidenehexane.
Chemical Property Profile of 3-Methylidenehexane
Property Insights of 3-Methylidenehexane
The XLogP value of 3.5 indicates that 3-Methylidenehexane 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-Methylidenehexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylidenehexane 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-Methylidenehexane?
The CAS number of 3-Methylidenehexane is 3404-71-5.
What is the molecular formula of 3-Methylidenehexane?
The molecular formula of 3-Methylidenehexane is C7H14.
What is the molecular weight of 3-Methylidenehexane?
The molecular weight of 3-Methylidenehexane is 98.11 g/mol.
Where can I buy 3-Methylidenehexane?
You can request a quote for 3-Methylidenehexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylidenehexane?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylidenehexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.