ethyl 2-(2-propan-2-ylcyclohexyl)acetate

C13H24O2 — CID 58689217

IUPACethyl 2-(2-propan-2-ylcyclohexyl)acetate
SMILESCCOC(=O)CC1CCCCC1C(C)C
InChIInChI=1S/C13H24O2/c1-4-15-13(14)9-11-7-5-6-8-12(11)10(2)3/h10-12H,4-9H2,1-3H3
InChIKeyJJEWPFKSMMRRLF-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.40
Rot. Bonds4

About ethyl 2-(2-propan-2-ylcyclohexyl)acetate

ethyl 2-(2-propan-2-ylcyclohexyl)acetate (PubChem CID 58689217) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is ethyl 2-(2-propan-2-ylcyclohexyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-propan-2-ylcyclohexyl)acetate
PubChem CID58689217
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Nameethyl 2-(2-propan-2-ylcyclohexyl)acetate
SMILESCCOC(=O)CC1CCCCC1C(C)C
InChIInChI=1S/C13H24O2/c1-4-15-13(14)9-11-7-5-6-8-12(11)10(2)3/h10-12H,4-9H2,1-3H3
InChIKeyJJEWPFKSMMRRLF-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 2-(2-propan-2-ylcyclohexyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2S)-2-propan-2-ylcyclohexane-1-carboxylate
CID 58682733
ethyl 3-hydroxy-4-[(2-propan-2-ylcyclohexyl)amino]butanoate
CID 103261980
ethyl 2-[(1R,6R)-6-(2-ethoxy-2-oxoethyl)cyclohex-3-en-1-yl]acetate
CID 11097129
3-(2-propan-2-ylcyclohexyl)propanoic acid
CID 84733624
3-(2-propan-2-ylcyclohexyl)propan-1-amine
CID 84732620
ethyl (2S)-2-propan-2-ylcyclopentane-1-carboxylate
CID 89296898
ethyl 2-[(1R,2R)-2-[(1R)-1-hydroxy-2-phenylmethoxyethyl]cyclopentyl]acetate
CID 134303215
ethyl 2-[2-(3,5-dimethoxyphenyl)cyclohexyl]acetate
CID 71323182
ethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate
CID 141490917
[(1R,2S)-2-propan-2-ylcyclohexyl]methanamine
CID 166498577
ethyl 2-cyclopentylpropanoate
CID 10654733
ethyl 2-[(1S,2S)-2-fluorocyclopropyl]acetate
CID 171935476

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-propan-2-ylcyclohexyl)acetate?
The IUPAC name of ethyl 2-(2-propan-2-ylcyclohexyl)acetate (CID 58689217) is ethyl 2-(2-propan-2-ylcyclohexyl)acetate.
What is the SMILES notation for ethyl 2-(2-propan-2-ylcyclohexyl)acetate?
The canonical SMILES for ethyl 2-(2-propan-2-ylcyclohexyl)acetate is CCOC(=O)CC1CCCCC1C(C)C.
What is the InChIKey of ethyl 2-(2-propan-2-ylcyclohexyl)acetate?
The InChIKey is JJEWPFKSMMRRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-15-13(14)9-11-7-5-6-8-12(11)10(2)3/h10-12H,4-9H2,1-3H3.
What are the key properties of ethyl 2-(2-propan-2-ylcyclohexyl)acetate?
ethyl 2-(2-propan-2-ylcyclohexyl)acetate has a molecular weight of 212.33 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-propan-2-ylcyclohexyl)acetate is sourced from PubChem (CID 58689217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).