2-(1-methoxyethoxy)ethyl 1,2-dimethylcyclopentane-1-carboxylate

C13H24O4 — CID 20729064

IUPAC2-(1-methoxyethoxy)ethyl 1,2-dimethylcyclopentane-1-carboxylate
SMILESCOC(C)OCCOC(=O)C1(C)CCCC1C
InChIInChI=1S/C13H24O4/c1-10-6-5-7-13(10,3)12(14)17-9-8-16-11(2)15-4/h10-11H,5-9H2,1-4H3
InChIKeyRMMPBPINTKGJEN-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.36
Rot. Bonds6

About 2-(1-methoxyethoxy)ethyl 1,2-dimethylcyclopentane-1-carboxylate

2-(1-methoxyethoxy)ethyl 1,2-dimethylcyclopentane-1-carboxylate (PubChem CID 20729064) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-(1-methoxyethoxy)ethyl 1,2-dimethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name2-(1-methoxyethoxy)ethyl 1,2-dimethylcyclopentane-1-carboxylate
PubChem CID20729064
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name2-(1-methoxyethoxy)ethyl 1,2-dimethylcyclopentane-1-carboxylate
SMILESCOC(C)OCCOC(=O)C1(C)CCCC1C
InChIInChI=1S/C13H24O4/c1-10-6-5-7-13(10,3)12(14)17-9-8-16-11(2)15-4/h10-11H,5-9H2,1-4H3
InChIKeyRMMPBPINTKGJEN-UHFFFAOYSA-N
XLogP2.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1-methoxyethoxy)ethyl 1,2-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 2,2-dimethylcyclopentane-1-carboxylate
CID 10630992
methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylate
CID 56595628
Ethyl 2-(1,3-dioxolan-2-yl)cyclopentane-1-carboxylate
CID 135037698
Diethyl 2-(dimethoxymethyl)cyclopentane-1,1-dicarboxylate
CID 11808338
Methyl 2-[2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)cyclobutyl]acetate
CID 12511602
1-Ethoxyethyl 4-methyl-2-propylcyclopentane-1-carboxylate
CID 20661402
1-Ethoxyethyl 2,4-dimethylcyclopentane-1-carboxylate
CID 20681882
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-methylcyclohexane-1-carboxylate
CID 20729065
2-(1-Methoxyethoxy)ethyl 3,4-dimethyloctanoate
CID 20729081
2-(1-Methoxyethoxy)ethyl 3-cyclopentylpropanoate
CID 20729083

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethoxy)ethyl 1,2-dimethylcyclopentane-1-carboxylate?
The IUPAC name of 2-(1-methoxyethoxy)ethyl 1,2-dimethylcyclopentane-1-carboxylate (CID 20729064) is 2-(1-methoxyethoxy)ethyl 1,2-dimethylcyclopentane-1-carboxylate.
What is the SMILES notation for 2-(1-methoxyethoxy)ethyl 1,2-dimethylcyclopentane-1-carboxylate?
The canonical SMILES for 2-(1-methoxyethoxy)ethyl 1,2-dimethylcyclopentane-1-carboxylate is COC(C)OCCOC(=O)C1(C)CCCC1C.
What is the InChIKey of 2-(1-methoxyethoxy)ethyl 1,2-dimethylcyclopentane-1-carboxylate?
The InChIKey is RMMPBPINTKGJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-10-6-5-7-13(10,3)12(14)17-9-8-16-11(2)15-4/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-(1-methoxyethoxy)ethyl 1,2-dimethylcyclopentane-1-carboxylate?
2-(1-methoxyethoxy)ethyl 1,2-dimethylcyclopentane-1-carboxylate has a molecular weight of 244.33 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethoxy)ethyl 1,2-dimethylcyclopentane-1-carboxylate is sourced from PubChem (CID 20729064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).