Linalyl 3-methylhexanoate
TL;DR: Linalyl 3-methylhexanoate (CAS 630130-18-6) is a chemical compound with molecular formula C17H30O2 and molecular weight 266.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethylocta-1,6-dien-3-yl 3-methylhexanoate
Also Known As: linalyl 3-methylhexanoate, 3,7-dimethylocta-1,6-dien-3-yl 3-methylhexanoate, Hexanoic acid, 3-methyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester, RefChem:351159
| Molecular Formula | C17H30O2 |
|---|---|
| Molecular Weight | 266.22 g/mol |
| LogP | 5.047 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 266.22458 |
| Heavy Atoms | 19 |
| Complexity | 313.22375 |
Chemical Identifiers
| CAS Number | 630130-18-6 |
|---|---|
| SMILES | CCCC(C)CC(=O)OC(C)(CCC=C(C)C)C=C |
Product Overview
Linalyl 3-methylhexanoate (CAS 630130-18-6), with molecular formula C17H30O2 and molecular weight 266.22 g/mol. IUPAC: 3,7-dimethylocta-1,6-dien-3-yl 3-methylhexanoate.
Chemical Property Profile of Linalyl 3-methylhexanoate
Property Insights of Linalyl 3-methylhexanoate
The XLogP value of 5.047 indicates that Linalyl 3-methylhexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Linalyl 3-methylhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Linalyl 3-methylhexanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Linalyl 3-methylhexanoate?
The CAS number of Linalyl 3-methylhexanoate is 630130-18-6.
What is the molecular formula of Linalyl 3-methylhexanoate?
The molecular formula of Linalyl 3-methylhexanoate is C17H30O2.
What is the molecular weight of Linalyl 3-methylhexanoate?
The molecular weight of Linalyl 3-methylhexanoate is 266.22 g/mol.
Where can I buy Linalyl 3-methylhexanoate?
You can request a quote for Linalyl 3-methylhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Linalyl 3-methylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for Linalyl 3-methylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.