ethyl 2-[(1S)-2-oxocyclopentyl]acetate

C9H14O3 — CID 1268264

IUPACethyl 2-[(1S)-2-oxocyclopentyl]acetate
SMILESCCOC(=O)C[C@@H]1CCCC1=O
InChIInChI=1S/C9H14O3/c1-2-12-9(11)6-7-4-3-5-8(7)10/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyPJMKFKUFBDXYEC-ZETCQYMHSA-N
MW170.21 g/mol
LogP1.31
Rot. Bonds3

About ethyl 2-[(1S)-2-oxocyclopentyl]acetate

ethyl 2-[(1S)-2-oxocyclopentyl]acetate (PubChem CID 1268264) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is ethyl 2-[(1S)-2-oxocyclopentyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1S)-2-oxocyclopentyl]acetate
PubChem CID1268264
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Nameethyl 2-[(1S)-2-oxocyclopentyl]acetate
SMILESCCOC(=O)C[C@@H]1CCCC1=O
InChIInChI=1S/C9H14O3/c1-2-12-9(11)6-7-4-3-5-8(7)10/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyPJMKFKUFBDXYEC-ZETCQYMHSA-N
XLogP1.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 4-[(2-oxocyclohexyl)methyl]pent-4-enoate
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2-methylpropyl 2-[(1S)-2-oxocyclohexyl]acetate
CID 134175982
ethyl 2-(2,3-dioxocyclopentyl)acetate
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ethyl 2-[(2-oxocycloheptyl)methyl]prop-2-enoate
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ethyl 2-[3-(dimethylaminomethylidene)-2-oxocyclohexyl]acetate
CID 77225072
ethyl 2-[(1R,2Z)-2-ethylidenecyclohexyl]acetate
CID 177482165
ethyl 2-(2-methylcyclohex-2-en-1-yl)acetate
CID 10726121
ethyl 2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[b]thiophen-8-yl)acetate
CID 159834354
ethyl 2-(3-methyl-2-oxocyclopentyl)acetate
CID 14039356
ethyl 2-[(2R)-6-oxooxan-2-yl]acetate
CID 102379302
2-(2-methylidenebutyl)cyclopentan-1-one
CID 66046925

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1S)-2-oxocyclopentyl]acetate?
The IUPAC name of ethyl 2-[(1S)-2-oxocyclopentyl]acetate (CID 1268264) is ethyl 2-[(1S)-2-oxocyclopentyl]acetate.
What is the SMILES notation for ethyl 2-[(1S)-2-oxocyclopentyl]acetate?
The canonical SMILES for ethyl 2-[(1S)-2-oxocyclopentyl]acetate is CCOC(=O)C[C@@H]1CCCC1=O.
What is the InChIKey of ethyl 2-[(1S)-2-oxocyclopentyl]acetate?
The InChIKey is PJMKFKUFBDXYEC-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14O3/c1-2-12-9(11)6-7-4-3-5-8(7)10/h7H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of ethyl 2-[(1S)-2-oxocyclopentyl]acetate?
ethyl 2-[(1S)-2-oxocyclopentyl]acetate has a molecular weight of 170.21 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1S)-2-oxocyclopentyl]acetate is sourced from PubChem (CID 1268264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).