ethyl 2-(3-methyl-2-oxocyclopentyl)acetate

C10H16O3 — CID 14039356

IUPACethyl 2-(3-methyl-2-oxocyclopentyl)acetate
SMILESCCOC(=O)CC1CCC(C)C1=O
InChIInChI=1S/C10H16O3/c1-3-13-9(11)6-8-5-4-7(2)10(8)12/h7-8H,3-6H2,1-2H3
InChIKeyZSLFZZGDVRCOKL-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.55
Rot. Bonds3

About ethyl 2-(3-methyl-2-oxocyclopentyl)acetate

ethyl 2-(3-methyl-2-oxocyclopentyl)acetate (PubChem CID 14039356) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is ethyl 2-(3-methyl-2-oxocyclopentyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-methyl-2-oxocyclopentyl)acetate
PubChem CID14039356
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nameethyl 2-(3-methyl-2-oxocyclopentyl)acetate
SMILESCCOC(=O)CC1CCC(C)C1=O
InChIInChI=1S/C10H16O3/c1-3-13-9(11)6-8-5-4-7(2)10(8)12/h7-8H,3-6H2,1-2H3
InChIKeyZSLFZZGDVRCOKL-UHFFFAOYSA-N
XLogP1.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(1R,3S)-2-oxo-3-[tris(trimethylsilyl)silylmethyl]cyclopentyl]acetate
CID 10917012
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CID 91389872
ethyl 2-[(1S)-2-oxocyclopentyl]acetate
CID 1268264
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CID 162109762
ethyl 2-(4-oxopyrrolidin-3-yl)acetate
CID 67937001
ethyl 2-[(1S,4S)-4-tert-butyl-2-methylidenecyclohexyl]acetate
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ethyl 2-[(3S,5S)-5-methylsulfonyl-2-oxopyrrolidin-3-yl]acetate
CID 57249466
ethyl 2-(2-methylcyclohex-2-en-1-yl)acetate
CID 10726121
ethyl 3-methyl-2-oxocycloheptane-1-carboxylate
CID 22173688
ethyl 2-[4-(4-fluorophenyl)-2-oxocyclohexyl]acetate
CID 91222586
ethyl 2-[(1R,2Z)-2-ethylidenecyclohexyl]acetate
CID 177482165
ethyl 2-[(3R,4S)-3-ethyl-2-oxopiperidin-4-yl]acetate
CID 131843994

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methyl-2-oxocyclopentyl)acetate?
The IUPAC name of ethyl 2-(3-methyl-2-oxocyclopentyl)acetate (CID 14039356) is ethyl 2-(3-methyl-2-oxocyclopentyl)acetate.
What is the SMILES notation for ethyl 2-(3-methyl-2-oxocyclopentyl)acetate?
The canonical SMILES for ethyl 2-(3-methyl-2-oxocyclopentyl)acetate is CCOC(=O)CC1CCC(C)C1=O.
What is the InChIKey of ethyl 2-(3-methyl-2-oxocyclopentyl)acetate?
The InChIKey is ZSLFZZGDVRCOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-13-9(11)6-8-5-4-7(2)10(8)12/h7-8H,3-6H2,1-2H3.
What are the key properties of ethyl 2-(3-methyl-2-oxocyclopentyl)acetate?
ethyl 2-(3-methyl-2-oxocyclopentyl)acetate has a molecular weight of 184.23 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methyl-2-oxocyclopentyl)acetate is sourced from PubChem (CID 14039356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).