2-甲基丁酸3,7-二甲基辛酯
TL;DR: 2-甲基丁酸3,7-二甲基辛酯 (CAS 68368-54-7) is a chemical compound with molecular formula C15H30O2 and molecular weight 242.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基丁酸3,7-二甲基辛酯
3,7-dimethyloctyl 2-methylbutanoate
Also Known As: Tetrahydrogeranyl 2-methylbutyrate, 3,7-dimethyloctyl 2-methylbutanoate, Tetrahydrogeranyl 2-methyl-2-ethylacetate, Butanoic acid, 2-methyl-, 3,7-dimethyloctyl ester, Tetrahydrogeranyl methyl-ethyl-acetate
| Molecular Formula | C15H30O2 |
|---|---|
| Molecular Weight | 242.22 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 242.22458 |
| Heavy Atoms | 17 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 68368-54-7 |
|---|---|
| SMILES | CCC(C)C(=O)OCCC(C)CCCC(C)C |
| InChIKey | SQALVBRSOCSXNI-UHFFFAOYSA-N |
Product Overview
2-甲基丁酸3,7-二甲基辛酯 (CAS 68368-54-7), with molecular formula C15H30O2 and molecular weight 242.22 g/mol. IUPAC: 3,7-dimethyloctyl 2-methylbutanoate.
Chemical Property Profile of 2-甲基丁酸3,7-二甲基辛酯
Property Insights of 2-甲基丁酸3,7-二甲基辛酯
The XLogP value of 5.6 indicates that 2-甲基丁酸3,7-二甲基辛酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-甲基丁酸3,7-二甲基辛酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基丁酸3,7-二甲基辛酯 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 2-甲基丁酸3,7-二甲基辛酯?
The CAS number of 2-甲基丁酸3,7-二甲基辛酯 is 68368-54-7.
What is the molecular formula of 2-甲基丁酸3,7-二甲基辛酯?
The molecular formula of 2-甲基丁酸3,7-二甲基辛酯 is C15H30O2.
What is the molecular weight of 2-甲基丁酸3,7-二甲基辛酯?
The molecular weight of 2-甲基丁酸3,7-二甲基辛酯 is 242.22 g/mol.
Where can I buy 2-甲基丁酸3,7-二甲基辛酯?
You can request a quote for 2-甲基丁酸3,7-二甲基辛酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基丁酸3,7-二甲基辛酯?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基丁酸3,7-二甲基辛酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.