3-Methylhept-3-ene
TL;DR: 3-Methylhept-3-ene (CAS 22768-18-9) is a chemical compound with molecular formula C8H16 and molecular weight 112.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylhept-3-ene
Also Known As: 3-methylhept-3-ene, 3-Heptene, 3-methyl-, 3-METHYL-3-HEPTENE, (E/Z)-3-methyl-3-heptene, 3-Methyl-3-heptene (cis,trans)
| Molecular Formula | C8H16 |
|---|---|
| Molecular Weight | 112.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 112.1252 |
| Heavy Atoms | 8 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 22768-18-9 |
|---|---|
| SMILES | CCCC=C(C)CC |
| InChIKey | AAUHUDBDDBJONC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylhept-3-ene (CAS 22768-18-9), with molecular formula C8H16 and molecular weight 112.13 g/mol. IUPAC: 3-methylhept-3-ene.
Chemical Property Profile of 3-Methylhept-3-ene
Property Insights of 3-Methylhept-3-ene
The XLogP value of 3.7 indicates that 3-Methylhept-3-ene 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-Methylhept-3-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylhept-3-ene 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-Methylhept-3-ene?
The CAS number of 3-Methylhept-3-ene is 22768-18-9.
What is the molecular formula of 3-Methylhept-3-ene?
The molecular formula of 3-Methylhept-3-ene is C8H16.
What is the molecular weight of 3-Methylhept-3-ene?
The molecular weight of 3-Methylhept-3-ene is 112.13 g/mol.
Where can I buy 3-Methylhept-3-ene?
You can request a quote for 3-Methylhept-3-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylhept-3-ene?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylhept-3-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.