Myrtenyl isovalerate
TL;DR: Myrtenyl isovalerate (CAS 33900-84-4) is a chemical compound with molecular formula C15H24O2 and molecular weight 236.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl 3-methylbutanoate
Also Known As: Myrtenyl isovalerate, (-)-Myrtenyl isovalerate, Myrtenyl 3-methylbutyrate, 2-Pinen-10-ol, isovalerate (8CI), (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl 3-methylbutanoate
| Molecular Formula | C15H24O2 |
|---|---|
| Molecular Weight | 236.18 g/mol |
| LogP | 3.5681 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.17763 |
| Heavy Atoms | 17 |
| Complexity | 338.831 |
Chemical Identifiers
| CAS Number | 33900-84-4 |
|---|---|
| SMILES | CC(C)CC(=O)OCC1=CCC2CC1C2(C)C |
Product Overview
Myrtenyl isovalerate (CAS 33900-84-4), with molecular formula C15H24O2 and molecular weight 236.18 g/mol. IUPAC: (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl 3-methylbutanoate.
Chemical Property Profile of Myrtenyl isovalerate
Property Insights of Myrtenyl isovalerate
The XLogP value of 3.5681 indicates that Myrtenyl 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, Myrtenyl isovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Myrtenyl 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 Myrtenyl isovalerate?
The CAS number of Myrtenyl isovalerate is 33900-84-4.
What is the molecular formula of Myrtenyl isovalerate?
The molecular formula of Myrtenyl isovalerate is C15H24O2.
What is the molecular weight of Myrtenyl isovalerate?
The molecular weight of Myrtenyl isovalerate is 236.18 g/mol.
Where can I buy Myrtenyl isovalerate?
You can request a quote for Myrtenyl isovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Myrtenyl isovalerate?
Yes, KEHONG BIO provides custom synthesis services for Myrtenyl isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.