![[2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl acetate structure](/static/products/819/81968-65-2.png)
[2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl acetate
TL;DR: [2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl acetate (CAS 81968-65-2) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl acetate
Also Known As: [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl acetate|[2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropyl]methyl acetate
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 81968-65-2 |
|---|---|
| SMILES | CC(=CC1C(C1(C)C)COC(=O)C)C |
| InChIKey | OTWVMTYIYNDIOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl acetate (CAS 81968-65-2), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl acetate.
Chemical Property Profile of [2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl acetate
Property Insights of [2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl acetate
The XLogP value of 3.1 indicates that [2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl 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, [2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl 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 [2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl acetate?
The CAS number of [2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl acetate is 81968-65-2.
What is the molecular formula of [2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl acetate?
The molecular formula of [2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl acetate is C12H20O2.
What is the molecular weight of [2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl acetate?
The molecular weight of [2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl acetate is 196.15 g/mol.
Where can I buy [2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl acetate?
You can request a quote for [2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for [2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.