1-辛烯
TL;DR: 1-辛烯 (CAS 111-66-0) 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.
1-辛烯
oct-1-ene
Also Known As: 1-OCTENE, Oct-1-ene, Caprylene, Octylene, 1-Octylene
| Molecular Formula | C8H16 |
|---|---|
| Molecular Weight | 112.13 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 112.1252 |
| Heavy Atoms | 8 |
| Complexity | 46.0 |
| Melting Point | -101.7 °C |
| Boiling Point | 121.3 °C at 760 mmHg |
| Density | 0.715 at 20.0 °C - Less dense than water; will float |
| Solubility | Miscible with ethanol, ether |
| Flash Point | 21.1 °C |
| Vapor Pressure | 17.4 [mmHg] |
| Refractive Index | 1.4062 @ 25 °C |
Chemical Identifiers
| CAS Number | 111-66-0 |
|---|---|
| SMILES | CCCCCCC=C |
| InChIKey | KWKAKUADMBZCLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-辛烯 (CAS 111-66-0), with molecular formula C8H16 and molecular weight 112.13 g/mol. IUPAC: oct-1-ene.
Chemical Property Profile of 1-辛烯
Property Insights of 1-辛烯
The XLogP value of 4.6 indicates that 1-辛烯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-辛烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-辛烯 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 1-辛烯?
The CAS number of 1-辛烯 is 111-66-0.
What is the molecular formula of 1-辛烯?
The molecular formula of 1-辛烯 is C8H16.
What is the molecular weight of 1-辛烯?
The molecular weight of 1-辛烯 is 112.13 g/mol.
Where can I buy 1-辛烯?
You can request a quote for 1-辛烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-辛烯?
Yes, KEHONG BIO provides custom synthesis services for 1-辛烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.