Citronellyl isovalerate
TL;DR: Citronellyl isovalerate (CAS 68922-10-1) is a chemical compound with molecular formula C15H28O2 and molecular weight 240.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyloct-6-enyl 3-methylbutanoate
Also Known As: Citronellyl isovalerate, Citronellyl iso-valerate, 3,7-dimethyloct-6-enyl 3-methylbutanoate, CITRONELLYLISOVALERATE, 3,7-Dimethyl-6-octenyl isovalerate
| Molecular Formula | C15H28O2 |
|---|---|
| Molecular Weight | 240.21 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 240.20892 |
| Heavy Atoms | 17 |
| Complexity | 237.0 |
| Boiling Point | 237.00 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 68922-10-1 |
|---|---|
| SMILES | CC(C)CC(=O)OCCC(C)CCC=C(C)C |
| InChIKey | WZTNQQJXPYEGAF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Citronellyl isovalerate (CAS 68922-10-1), with molecular formula C15H28O2 and molecular weight 240.21 g/mol. IUPAC: 3,7-dimethyloct-6-enyl 3-methylbutanoate.
Chemical Property Profile of Citronellyl isovalerate
Property Insights of Citronellyl isovalerate
The XLogP value of 5.0 indicates that Citronellyl isovalerate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Citronellyl isovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Citronellyl isovalerate 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 Citronellyl isovalerate?
The CAS number of Citronellyl isovalerate is 68922-10-1.
What is the molecular formula of Citronellyl isovalerate?
The molecular formula of Citronellyl isovalerate is C15H28O2.
What is the molecular weight of Citronellyl isovalerate?
The molecular weight of Citronellyl isovalerate is 240.21 g/mol.
Where can I buy Citronellyl isovalerate?
You can request a quote for Citronellyl isovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Citronellyl isovalerate?
Yes, KEHONG BIO provides custom synthesis services for Citronellyl isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.