[(1S)-3-oxocyclopentyl] acetate

C7H10O3 — CID 22806583

IUPAC[(1S)-3-oxocyclopentyl] acetate
SMILESCC(=O)O[C@H]1CCC(=O)C1
InChIInChI=1S/C7H10O3/c1-5(8)10-7-3-2-6(9)4-7/h7H,2-4H2,1H3/t7-/m0/s1
InChIKeyORIWALZMHBORDX-ZETCQYMHSA-N
MW142.15 g/mol
LogP0.67
Rot. Bonds1

About [(1S)-3-oxocyclopentyl] acetate

[(1S)-3-oxocyclopentyl] acetate (PubChem CID 22806583) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is [(1S)-3-oxocyclopentyl] acetate.

Molecular Properties

Compound Name[(1S)-3-oxocyclopentyl] acetate
PubChem CID22806583
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name[(1S)-3-oxocyclopentyl] acetate
SMILESCC(=O)O[C@H]1CCC(=O)C1
InChIInChI=1S/C7H10O3/c1-5(8)10-7-3-2-6(9)4-7/h7H,2-4H2,1H3/t7-/m0/s1
InChIKeyORIWALZMHBORDX-ZETCQYMHSA-N
XLogP0.67
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Gamma-Valerolactone
CID 7921
(R)-gamma-valerolactone
CID 642783
Ethyl 3-oxovalerate
CID 78656
(S)-gamma-valerolactone
CID 7057988
Cyclopentyl 3-oxobutanoate
CID 243706
(3-Oxocyclopentyl) acetate
CID 22754086
4-Ethoxy-gamma-valerolactone
CID 85567443
2-Pentanone, 4-(acetyloxy)-
CID 10950
3-Ethoxypentanoate
CID 21282402
3,4-Dioxopentyl acetate
CID 101995175
4-Methoxy-5-methyloxolan-2-one
CID 12027760
Propan-2-yl 3-oxopentanoate
CID 13844202

Frequently Asked Questions

What is the IUPAC name of [(1S)-3-oxocyclopentyl] acetate?
The IUPAC name of [(1S)-3-oxocyclopentyl] acetate (CID 22806583) is [(1S)-3-oxocyclopentyl] acetate.
What is the SMILES notation for [(1S)-3-oxocyclopentyl] acetate?
The canonical SMILES for [(1S)-3-oxocyclopentyl] acetate is CC(=O)O[C@H]1CCC(=O)C1.
What is the InChIKey of [(1S)-3-oxocyclopentyl] acetate?
The InChIKey is ORIWALZMHBORDX-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H10O3/c1-5(8)10-7-3-2-6(9)4-7/h7H,2-4H2,1H3/t7-/m0/s1.
What are the key properties of [(1S)-3-oxocyclopentyl] acetate?
[(1S)-3-oxocyclopentyl] acetate has a molecular weight of 142.15 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3-oxocyclopentyl] acetate is sourced from PubChem (CID 22806583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).