ethyl 2-(2,2,4-trimethylcyclopentyl)acetate

C12H22O2 — CID 54404876

IUPACethyl 2-(2,2,4-trimethylcyclopentyl)acetate
SMILESCCOC(=O)CC1CC(C)CC1(C)C
InChIInChI=1S/C12H22O2/c1-5-14-11(13)7-10-6-9(2)8-12(10,3)4/h9-10H,5-8H2,1-4H3
InChIKeyVPZHNQWLWCIZHF-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.01
Rot. Bonds3

About ethyl 2-(2,2,4-trimethylcyclopentyl)acetate

ethyl 2-(2,2,4-trimethylcyclopentyl)acetate (PubChem CID 54404876) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is ethyl 2-(2,2,4-trimethylcyclopentyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,2,4-trimethylcyclopentyl)acetate
PubChem CID54404876
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Nameethyl 2-(2,2,4-trimethylcyclopentyl)acetate
SMILESCCOC(=O)CC1CC(C)CC1(C)C
InChIInChI=1S/C12H22O2/c1-5-14-11(13)7-10-6-9(2)8-12(10,3)4/h9-10H,5-8H2,1-4H3
InChIKeyVPZHNQWLWCIZHF-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 2-(2,2,4-trimethylcyclopentyl)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 2-(2,2,6,6-tetramethyloxan-4-yl)acetate
CID 54474466
ethyl 2-(3,3-dimethylpiperidin-4-yl)acetate;hydrochloride
CID 132992939
ethyl 2-(2,2,6-trimethylpiperidin-4-yl)acetate
CID 121001595
trans-ethyl (1S,2R)-2-(2-ethoxy-2-oxoethyl)-1-methylcyclopentane-1-carboxylate
CID 14958532
ethyl 2-(4,4-dimethylcyclohexyl)acetate
CID 23001036
ethyl 2-[(1R,6R)-6-(2-ethoxy-2-oxoethyl)cyclohex-3-en-1-yl]acetate
CID 11097129
ethyl 2-[(1S,2S)-2-fluorocyclopropyl]acetate
CID 171935476
ethyl 2-(5,5-dimethylcyclopent-2-en-1-yl)acetate
CID 142858337
ethyl 2-[(1S)-2,2-difluorocyclohexyl]acetate
CID 95170239
ethyl 2-[(2R,6R)-2,6-dimethyloxan-4-yl]acetate
CID 58938909
ethyl 2-[(1R,2S)-2-hydroxy-3-methylcyclobutyl]acetate
CID 100980301
azanide;dichloroplatinum;[(1R,4S)-2,2,4-trimethylcyclopentyl]methanamine;dihydrate
CID 22827409

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2,4-trimethylcyclopentyl)acetate?
The IUPAC name of ethyl 2-(2,2,4-trimethylcyclopentyl)acetate (CID 54404876) is ethyl 2-(2,2,4-trimethylcyclopentyl)acetate.
What is the SMILES notation for ethyl 2-(2,2,4-trimethylcyclopentyl)acetate?
The canonical SMILES for ethyl 2-(2,2,4-trimethylcyclopentyl)acetate is CCOC(=O)CC1CC(C)CC1(C)C.
What is the InChIKey of ethyl 2-(2,2,4-trimethylcyclopentyl)acetate?
The InChIKey is VPZHNQWLWCIZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-5-14-11(13)7-10-6-9(2)8-12(10,3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of ethyl 2-(2,2,4-trimethylcyclopentyl)acetate?
ethyl 2-(2,2,4-trimethylcyclopentyl)acetate has a molecular weight of 198.31 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2,4-trimethylcyclopentyl)acetate is sourced from PubChem (CID 54404876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).