1-ethoxyethyl 2,4-dimethylcyclopentane-1-carboxylate

C12H22O3 — CID 20681882

IUPAC1-ethoxyethyl 2,4-dimethylcyclopentane-1-carboxylate
SMILESCCOC(C)OC(=O)C1CC(C)CC1C
InChIInChI=1S/C12H22O3/c1-5-14-10(4)15-12(13)11-7-8(2)6-9(11)3/h8-11H,5-7H2,1-4H3
InChIKeyWJTCTHAWWDRSNG-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.59
Rot. Bonds4

About 1-ethoxyethyl 2,4-dimethylcyclopentane-1-carboxylate

1-ethoxyethyl 2,4-dimethylcyclopentane-1-carboxylate (PubChem CID 20681882) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 1-ethoxyethyl 2,4-dimethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name1-ethoxyethyl 2,4-dimethylcyclopentane-1-carboxylate
PubChem CID20681882
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name1-ethoxyethyl 2,4-dimethylcyclopentane-1-carboxylate
SMILESCCOC(C)OC(=O)C1CC(C)CC1C
InChIInChI=1S/C12H22O3/c1-5-14-10(4)15-12(13)11-7-8(2)6-9(11)3/h8-11H,5-7H2,1-4H3
InChIKeyWJTCTHAWWDRSNG-UHFFFAOYSA-N
XLogP2.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-ethoxyethyl 2,4-dimethylcyclopentane-1-carboxylate 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-methylcyclopentanecarboxylate
CID 10844634
Ethyl 2,3,4-trimethylcyclopentanecarboxylate
CID 129803929
Ethyl 3-[2-(2-ethoxy-2-oxoethyl)cyclopentyl]propanoate
CID 285602
Oxan-2-yl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate
CID 20622015
Oxan-2-yl 4-methyl-2-propylcyclopentane-1-carboxylate
CID 20622016
1-Ethoxyethyl 4-methyl-2-propylcyclopentane-1-carboxylate
CID 20661402
Ethoxymethyl 4-methyl-2-propylcyclopentane-1-carboxylate
CID 20661473
Oxan-2-yl 2,4-dimethylcyclopentane-1-carboxylate
CID 20681973
1-Ethoxyethyl 3-propan-2-ylcyclopentane-1-carboxylate
CID 20697963
1-Ethoxypropyl 3-propan-2-ylcyclopentane-1-carboxylate
CID 20697965
2-(1-Methoxyethoxy)ethyl 1,2-dimethylcyclopentane-1-carboxylate
CID 20729064
2-(1-Methoxyethoxy)ethyl 3-cyclopentylpropanoate
CID 20729083

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethyl 2,4-dimethylcyclopentane-1-carboxylate?
The IUPAC name of 1-ethoxyethyl 2,4-dimethylcyclopentane-1-carboxylate (CID 20681882) is 1-ethoxyethyl 2,4-dimethylcyclopentane-1-carboxylate.
What is the SMILES notation for 1-ethoxyethyl 2,4-dimethylcyclopentane-1-carboxylate?
The canonical SMILES for 1-ethoxyethyl 2,4-dimethylcyclopentane-1-carboxylate is CCOC(C)OC(=O)C1CC(C)CC1C.
What is the InChIKey of 1-ethoxyethyl 2,4-dimethylcyclopentane-1-carboxylate?
The InChIKey is WJTCTHAWWDRSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-5-14-10(4)15-12(13)11-7-8(2)6-9(11)3/h8-11H,5-7H2,1-4H3.
What are the key properties of 1-ethoxyethyl 2,4-dimethylcyclopentane-1-carboxylate?
1-ethoxyethyl 2,4-dimethylcyclopentane-1-carboxylate has a molecular weight of 214.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethyl 2,4-dimethylcyclopentane-1-carboxylate is sourced from PubChem (CID 20681882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).