2-Methyl-6-methylideneoctyl acetate
TL;DR: 2-Methyl-6-methylideneoctyl acetate (CAS 88969-41-9) 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.
(2-methyl-6-methylideneoctyl) acetate
Also Known As: Dihydromyrcenyl acetate, 2-Methyl-6-methylene-2-octyl acetate, 3-Methylene-7-methyloctan-7-yl acetate, (2-methyl-6-methylideneoctyl) acetate, 2-METHYL-6-METHYLIDENEOCTYL ACETATE
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 4.0 |
| 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 | 185.0 |
Chemical Identifiers
| CAS Number | 88969-41-9 |
|---|---|
| SMILES | CCC(=C)CCCC(C)COC(=O)C |
| InChIKey | IRRIQZAIMANVTH-UHFFFAOYSA-N |
Product Overview
2-Methyl-6-methylideneoctyl acetate (CAS 88969-41-9), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: (2-methyl-6-methylideneoctyl) acetate.
Chemical Property Profile of 2-Methyl-6-methylideneoctyl acetate
Property Insights of 2-Methyl-6-methylideneoctyl acetate
The XLogP value of 4.0 indicates that 2-Methyl-6-methylideneoctyl acetate 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-Methyl-6-methylideneoctyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-6-methylideneoctyl acetate 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 2-Methyl-6-methylideneoctyl acetate?
The CAS number of 2-Methyl-6-methylideneoctyl acetate is 88969-41-9.
What is the molecular formula of 2-Methyl-6-methylideneoctyl acetate?
The molecular formula of 2-Methyl-6-methylideneoctyl acetate is C12H22O2.
What is the molecular weight of 2-Methyl-6-methylideneoctyl acetate?
The molecular weight of 2-Methyl-6-methylideneoctyl acetate is 198.16 g/mol.
Where can I buy 2-Methyl-6-methylideneoctyl acetate?
You can request a quote for 2-Methyl-6-methylideneoctyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-6-methylideneoctyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-6-methylideneoctyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.