trans-4-(Isopropyl)-alpha,gamma,gamma-trimethylcyclohexylpropyl acetate
TL;DR: trans-4-(Isopropyl)-alpha,gamma,gamma-trimethylcyclohexylpropyl acetate (CAS 97862-07-2) is a chemical compound with molecular formula C17H32O2 and molecular weight 268.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-methyl-4-(4-propan-2-ylcyclohexyl)pentan-2-yl] acetate
Also Known As: trans-4-(Isopropyl)-alpha,gamma,gamma-trimethylcyclohexylpropyl acetate, 4-methyl-4-[4-(propan-2-yl)cyclohexyl]pentan-2-yl acetate, cis-4-(Isopropyl)-alpha,gamma,gamma-trimethylcyclohexylpropyl acetate, [4-methyl-4-(4-propan-2-ylcyclohexyl)pentan-2-yl] acetate, trans-4-alpha,gamma,gamma-trimethylcyclohexylpropylacetate
| Molecular Formula | C17H32O2 |
|---|---|
| Molecular Weight | 268.24 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 268.24023 |
| Heavy Atoms | 19 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 97862-07-2 |
|---|---|
| SMILES | CC(C)C1CCC(CC1)C(C)(C)CC(C)OC(=O)C |
| InChIKey | XCNNCSRLOKMMQZ-UHFFFAOYSA-N |
Product Overview
trans-4-(Isopropyl)-alpha,gamma,gamma-trimethylcyclohexylpropyl acetate (CAS 97862-07-2), with molecular formula C17H32O2 and molecular weight 268.24 g/mol. IUPAC: [4-methyl-4-(4-propan-2-ylcyclohexyl)pentan-2-yl] acetate.
Chemical Property Profile of trans-4-(Isopropyl)-alpha,gamma,gamma-trimethylcyclohexylpropyl acetate
Property Insights of trans-4-(Isopropyl)-alpha,gamma,gamma-trimethylcyclohexylpropyl acetate
The XLogP value of 5.9 indicates that trans-4-(Isopropyl)-alpha,gamma,gamma-trimethylcyclohexylpropyl 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, trans-4-(Isopropyl)-alpha,gamma,gamma-trimethylcyclohexylpropyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-4-(Isopropyl)-alpha,gamma,gamma-trimethylcyclohexylpropyl acetate 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 trans-4-(Isopropyl)-alpha,gamma,gamma-trimethylcyclohexylpropyl acetate?
The CAS number of trans-4-(Isopropyl)-alpha,gamma,gamma-trimethylcyclohexylpropyl acetate is 97862-07-2.
What is the molecular formula of trans-4-(Isopropyl)-alpha,gamma,gamma-trimethylcyclohexylpropyl acetate?
The molecular formula of trans-4-(Isopropyl)-alpha,gamma,gamma-trimethylcyclohexylpropyl acetate is C17H32O2.
What is the molecular weight of trans-4-(Isopropyl)-alpha,gamma,gamma-trimethylcyclohexylpropyl acetate?
The molecular weight of trans-4-(Isopropyl)-alpha,gamma,gamma-trimethylcyclohexylpropyl acetate is 268.24 g/mol.
Where can I buy trans-4-(Isopropyl)-alpha,gamma,gamma-trimethylcyclohexylpropyl acetate?
You can request a quote for trans-4-(Isopropyl)-alpha,gamma,gamma-trimethylcyclohexylpropyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-4-(Isopropyl)-alpha,gamma,gamma-trimethylcyclohexylpropyl acetate?
Yes, KEHONG BIO provides custom synthesis services for trans-4-(Isopropyl)-alpha,gamma,gamma-trimethylcyclohexylpropyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.