Hexanoic acid, 3,7-dimethyl-6-octen-1-yl ester
TL;DR: Hexanoic acid, 3,7-dimethyl-6-octen-1-yl ester (CAS 10580-25-3) is a chemical compound with molecular formula C16H30O2 and molecular weight 254.22458 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,7-dimethyloct-6-enyl hexanoate
Also Known As: Citronellyl hexanoate, Citronellyl caproate, 3,7-dimethyloct-6-enyl hexanoate, citronellylhexanoate, citronellyle caproate
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H30O2 |
| Molecular Weight | 254.22458 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 254.22458 Da |
| Heavy Atoms | 18 |
| Complexity | 239.0 |
| Boiling Point | 240.00 °C. @ 760.00 mm Hg |
| SMILES | CCCCCC(=O)OCCC(C)CCC=C(C)C |
| InChIKey | KNYRCCKTQMBSFP-UHFFFAOYSA-N |
Chemical Property Profile of Hexanoic acid, 3,7-dimethyl-6-octen-1-yl ester
Property Insights of Hexanoic acid, 3,7-dimethyl-6-octen-1-yl ester
The XLogP value of 5.7 indicates that Hexanoic acid, 3,7-dimethyl-6-octen-1-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hexanoic acid, 3,7-dimethyl-6-octen-1-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanoic acid, 3,7-dimethyl-6-octen-1-yl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Hexanoic acid, 3,7-dimethyl-6-octen-1-yl ester?
The CAS number of Hexanoic acid, 3,7-dimethyl-6-octen-1-yl ester is 10580-25-3.
What is the molecular formula of Hexanoic acid, 3,7-dimethyl-6-octen-1-yl ester?
The molecular formula of Hexanoic acid, 3,7-dimethyl-6-octen-1-yl ester is C16H30O2.
What is the molecular weight of Hexanoic acid, 3,7-dimethyl-6-octen-1-yl ester?
The molecular weight of Hexanoic acid, 3,7-dimethyl-6-octen-1-yl ester is 254.22458 g/mol.
Where can I buy Hexanoic acid, 3,7-dimethyl-6-octen-1-yl ester?
You can request a quote for Hexanoic acid, 3,7-dimethyl-6-octen-1-yl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexanoic acid, 3,7-dimethyl-6-octen-1-yl ester?
Yes, CoreyChem provides custom synthesis services for Hexanoic acid, 3,7-dimethyl-6-octen-1-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.