3-Propyl-3-pentene
TL;DR: 3-Propyl-3-pentene (CAS 620-00-8) 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-ethylhex-2-ene
Also Known As: 3-Ethyl-2-hexene, 3-propyl-3-pentene, 2-Hexene, 3-ethyl-, (E)-
| 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 | 620-00-8 |
|---|---|
| SMILES | CCCC(=CC)CC |
| InChIKey | QEMJIDSLEPYRLM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Propyl-3-pentene (CAS 620-00-8), with molecular formula C8H16 and molecular weight 112.13 g/mol. IUPAC: 3-ethylhex-2-ene.
Chemical Property Profile of 3-Propyl-3-pentene
Property Insights of 3-Propyl-3-pentene
The XLogP value of 3.7 indicates that 3-Propyl-3-pentene 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-Propyl-3-pentene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Propyl-3-pentene 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-Propyl-3-pentene?
The CAS number of 3-Propyl-3-pentene is 620-00-8.
What is the molecular formula of 3-Propyl-3-pentene?
The molecular formula of 3-Propyl-3-pentene is C8H16.
What is the molecular weight of 3-Propyl-3-pentene?
The molecular weight of 3-Propyl-3-pentene is 112.13 g/mol.
Where can I buy 3-Propyl-3-pentene?
You can request a quote for 3-Propyl-3-pentene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Propyl-3-pentene?
Yes, KEHONG BIO provides custom synthesis services for 3-Propyl-3-pentene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.