1-(2,3,4-triacetylcyclopentyl)ethanone

C13H18O4 — CID 20647725

IUPAC1-(2,3,4-triacetylcyclopentyl)ethanone
SMILESCC(=O)C1CC(C(C)=O)C(C(C)=O)C1C(C)=O
InChIInChI=1S/C13H18O4/c1-6(14)10-5-11(7(2)15)13(9(4)17)12(10)8(3)16/h10-13H,5H2,1-4H3
InChIKeyRAHFBACASBTTQW-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.21
Rot. Bonds4

About 1-(2,3,4-triacetylcyclopentyl)ethanone

1-(2,3,4-triacetylcyclopentyl)ethanone (PubChem CID 20647725) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 1-(2,3,4-triacetylcyclopentyl)ethanone.

Molecular Properties

Compound Name1-(2,3,4-triacetylcyclopentyl)ethanone
PubChem CID20647725
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name1-(2,3,4-triacetylcyclopentyl)ethanone
SMILESCC(=O)C1CC(C(C)=O)C(C(C)=O)C1C(C)=O
InChIInChI=1S/C13H18O4/c1-6(14)10-5-11(7(2)15)13(9(4)17)12(10)8(3)16/h10-13H,5H2,1-4H3
InChIKeyRAHFBACASBTTQW-UHFFFAOYSA-N
XLogP1.21
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-2,4-diacetyl-3,5-dimethylcyclohexyl]ethanone
CID 144530795
(2S)-2-acetylcyclopropane-1-carboxamide
CID 89033165
cis-(1R,2S)-2-acetyl-N-methylcyclopropane-1-carboxamide
CID 89112285
1-(2-bicyclo[2.1.1]hexanyl)ethanone
CID 105427231
1-[(3S)-3-acetyl-2-bicyclo[2.2.1]hept-5-enyl]ethanone
CID 130402735
trans-(1S,2S)-2-acetylcyclobutane-1-carboxamide
CID 55290686
trans-(1R,2R)-2-acetylcyclobutane-1-carboxamide
CID 45084156
1-[(2R,3R)-3-acetyl-2-bicyclo[2.2.1]hept-5-enyl]ethanone
CID 130765247
ethyl 2-acetylcyclopropane-1-carboxylate
CID 12537328
(1S,2S,5R)-2-acetyl-5-methylcyclopentane-1-carboxylic acid
CID 131165134
1-[(1S,2S)-2-methoxycyclopropyl]ethanone
CID 134856757
1-[(1S,2S)-2-(1-hydroxyethyl)cyclopropyl]ethanone
CID 170449125

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4-triacetylcyclopentyl)ethanone?
The IUPAC name of 1-(2,3,4-triacetylcyclopentyl)ethanone (CID 20647725) is 1-(2,3,4-triacetylcyclopentyl)ethanone.
What is the SMILES notation for 1-(2,3,4-triacetylcyclopentyl)ethanone?
The canonical SMILES for 1-(2,3,4-triacetylcyclopentyl)ethanone is CC(=O)C1CC(C(C)=O)C(C(C)=O)C1C(C)=O.
What is the InChIKey of 1-(2,3,4-triacetylcyclopentyl)ethanone?
The InChIKey is RAHFBACASBTTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-6(14)10-5-11(7(2)15)13(9(4)17)12(10)8(3)16/h10-13H,5H2,1-4H3.
What are the key properties of 1-(2,3,4-triacetylcyclopentyl)ethanone?
1-(2,3,4-triacetylcyclopentyl)ethanone has a molecular weight of 238.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-triacetylcyclopentyl)ethanone is sourced from PubChem (CID 20647725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).