1-ethoxyethyl 3-propan-2-ylcyclopentane-1-carboxylate

C13H24O3 — CID 20697963

IUPAC1-ethoxyethyl 3-propan-2-ylcyclopentane-1-carboxylate
SMILESCCOC(C)OC(=O)C1CCC(C(C)C)C1
InChIInChI=1S/C13H24O3/c1-5-15-10(4)16-13(14)12-7-6-11(8-12)9(2)3/h9-12H,5-8H2,1-4H3
InChIKeyOEAHJOFZLKOGLB-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.98
Rot. Bonds5

About 1-ethoxyethyl 3-propan-2-ylcyclopentane-1-carboxylate

1-ethoxyethyl 3-propan-2-ylcyclopentane-1-carboxylate (PubChem CID 20697963) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 1-ethoxyethyl 3-propan-2-ylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name1-ethoxyethyl 3-propan-2-ylcyclopentane-1-carboxylate
PubChem CID20697963
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name1-ethoxyethyl 3-propan-2-ylcyclopentane-1-carboxylate
SMILESCCOC(C)OC(=O)C1CCC(C(C)C)C1
InChIInChI=1S/C13H24O3/c1-5-15-10(4)16-13(14)12-7-6-11(8-12)9(2)3/h9-12H,5-8H2,1-4H3
InChIKeyOEAHJOFZLKOGLB-UHFFFAOYSA-N
XLogP2.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-cyclopentylpropanoate
CID 10654733
ethyl (2S)-2-cyclopentylpropanoate
CID 155930018
Ethyl 3-pentylcyclopentanecarboxylate
CID 242463
Ethyl 2,3,4-trimethylcyclopentanecarboxylate
CID 129803929
ethyl 2-[(1R,3S)-3-[5-(methoxymethoxy)-5-methylhexyl]cyclopentyl]acetate
CID 10470914
1-acetyloxyethyl (2R)-2-propyloctanoate
CID 11514593
Ethyl 4-cyclopentylpentanoate
CID 18433851
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
1-Ethoxyethyl 2,4-dimethylcyclopentane-1-carboxylate
CID 20681882

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethyl 3-propan-2-ylcyclopentane-1-carboxylate?
The IUPAC name of 1-ethoxyethyl 3-propan-2-ylcyclopentane-1-carboxylate (CID 20697963) is 1-ethoxyethyl 3-propan-2-ylcyclopentane-1-carboxylate.
What is the SMILES notation for 1-ethoxyethyl 3-propan-2-ylcyclopentane-1-carboxylate?
The canonical SMILES for 1-ethoxyethyl 3-propan-2-ylcyclopentane-1-carboxylate is CCOC(C)OC(=O)C1CCC(C(C)C)C1.
What is the InChIKey of 1-ethoxyethyl 3-propan-2-ylcyclopentane-1-carboxylate?
The InChIKey is OEAHJOFZLKOGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-5-15-10(4)16-13(14)12-7-6-11(8-12)9(2)3/h9-12H,5-8H2,1-4H3.
What are the key properties of 1-ethoxyethyl 3-propan-2-ylcyclopentane-1-carboxylate?
1-ethoxyethyl 3-propan-2-ylcyclopentane-1-carboxylate has a molecular weight of 228.33 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethyl 3-propan-2-ylcyclopentane-1-carboxylate is sourced from PubChem (CID 20697963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).