柠烯
TL;DR: 柠烯 (CAS 138-86-3) is a chemical compound with molecular formula C10H16 and molecular weight 136.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
柠烯
1-methyl-4-prop-1-en-2-ylcyclohexene
Also Known As: LIMONENE, Dipentene, Cinene, Cajeputene, Kautschin
| Molecular Formula | C10H16 |
|---|---|
| Molecular Weight | 136.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.1252 |
| Heavy Atoms | 10 |
| Complexity | 163.0 |
| Melting Point | -40.0 °C |
| Boiling Point | 177.8 °C at 760 mmHg |
| Density | 0.842 at 21.0 °C - Less dense than water; will float |
| Solubility | In water, 7.57 mg/L at 25 °C |
| Flash Point | 46.1 °C |
| Vapor Pressure | 1.55 [mmHg] |
| Refractive Index | 1.4744 at 25 °C |
Chemical Identifiers
| CAS Number | 138-86-3 |
|---|---|
| SMILES | CC1=CCC(CC1)C(=C)C |
| InChIKey | XMGQYMWWDOXHJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
柠烯 (CAS 138-86-3), with molecular formula C10H16 and molecular weight 136.13 g/mol. IUPAC: 1-methyl-4-prop-1-en-2-ylcyclohexene.
Chemical Property Profile of 柠烯
Property Insights of 柠烯
The XLogP value of 3.4 indicates that 柠烯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 柠烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 柠烯 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 柠烯?
The CAS number of 柠烯 is 138-86-3.
What is the molecular formula of 柠烯?
The molecular formula of 柠烯 is C10H16.
What is the molecular weight of 柠烯?
The molecular weight of 柠烯 is 136.13 g/mol.
Where can I buy 柠烯?
You can request a quote for 柠烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 柠烯?
Yes, KEHONG BIO provides custom synthesis services for 柠烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.