Citronellene lactone
TL;DR: Citronellene lactone (CAS 61099-53-4) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(6-methylhept-5-en-2-yl)oxolan-2-one
Also Known As: Citronellene lactone, 5-(6-methylhept-5-en-2-yl)oxolan-2-one, 2(3H)-Furanone, 5-(1,5-dimethyl-4-hexen-1-yl)dihydro-, 5-(1,5-Dimethyl-4-hexenyl)dihydrofuran-2(3H)-one, 2(3H)-Furanone, 5-(1,5-dimethyl-4-hexenyl)dihydro-
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 61099-53-4 |
|---|---|
| SMILES | CC(CCC=C(C)C)C1CCC(=O)O1 |
| InChIKey | BSLAGKJAUWCLKK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Citronellene lactone (CAS 61099-53-4), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: 5-(6-methylhept-5-en-2-yl)oxolan-2-one.
Chemical Property Profile of Citronellene lactone
Property Insights of Citronellene lactone
The XLogP value of 3.4 indicates that Citronellene lactone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Citronellene lactone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Citronellene lactone has 0 hydrogen bond donor(s) and 2 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 Citronellene lactone?
The CAS number of Citronellene lactone is 61099-53-4.
What is the molecular formula of Citronellene lactone?
The molecular formula of Citronellene lactone is C12H20O2.
What is the molecular weight of Citronellene lactone?
The molecular weight of Citronellene lactone is 196.15 g/mol.
Where can I buy Citronellene lactone?
You can request a quote for Citronellene lactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Citronellene lactone?
Yes, KEHONG BIO provides custom synthesis services for Citronellene lactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.