甲基己酸2-丙烯-1-基酯
TL;DR: 甲基己酸2-丙烯-1-基酯 (CAS 68132-80-9) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲基己酸2-丙烯-1-基酯
prop-2-enyl 5,5-dimethylheptanoate
Also Known As: Allyl trimethylhexanoate, Allyl isononylate, Allyl trimethylhexoate, prop-2-enyl 5,5-dimethylheptanoate, prop-2-en-1-yl 5,5-dimethylheptanoate
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 68132-80-9 |
|---|---|
| SMILES | CCC(C)(C)CCCC(=O)OCC=C |
| InChIKey | DMPNGAXZQQAONL-UHFFFAOYSA-N |
Product Overview
甲基己酸2-丙烯-1-基酯 (CAS 68132-80-9), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: prop-2-enyl 5,5-dimethylheptanoate.
Chemical Property Profile of 甲基己酸2-丙烯-1-基酯
Property Insights of 甲基己酸2-丙烯-1-基酯
The XLogP value of 3.9 indicates that 甲基己酸2-丙烯-1-基酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 甲基己酸2-丙烯-1-基酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲基己酸2-丙烯-1-基酯 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 甲基己酸2-丙烯-1-基酯?
The CAS number of 甲基己酸2-丙烯-1-基酯 is 68132-80-9.
What is the molecular formula of 甲基己酸2-丙烯-1-基酯?
The molecular formula of 甲基己酸2-丙烯-1-基酯 is C12H22O2.
What is the molecular weight of 甲基己酸2-丙烯-1-基酯?
The molecular weight of 甲基己酸2-丙烯-1-基酯 is 198.16 g/mol.
Where can I buy 甲基己酸2-丙烯-1-基酯?
You can request a quote for 甲基己酸2-丙烯-1-基酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲基己酸2-丙烯-1-基酯?
Yes, KEHONG BIO provides custom synthesis services for 甲基己酸2-丙烯-1-基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.