1-[(2R,5S)-2,3,4,5-tetramethylcyclopent-3-en-1-yl]ethanone

C11H18O — CID 59930804

IUPAC1-[(2R,5S)-2,3,4,5-tetramethylcyclopent-3-en-1-yl]ethanone
SMILESCC(=O)C1[C@H](C)C(C)=C(C)[C@@H]1C
InChIInChI=1S/C11H18O/c1-6-7(2)9(4)11(8(6)3)10(5)12/h8-9,11H,1-5H3/t8-,9+,11?
InChIKeyIUWNBUKOKQKVTC-SLHIUPAKSA-N
MW166.26 g/mol
LogP2.81
Rot. Bonds1

About 1-[(2R,5S)-2,3,4,5-tetramethylcyclopent-3-en-1-yl]ethanone

1-[(2R,5S)-2,3,4,5-tetramethylcyclopent-3-en-1-yl]ethanone (PubChem CID 59930804) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 1-[(2R,5S)-2,3,4,5-tetramethylcyclopent-3-en-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,5S)-2,3,4,5-tetramethylcyclopent-3-en-1-yl]ethanone
PubChem CID59930804
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name1-[(2R,5S)-2,3,4,5-tetramethylcyclopent-3-en-1-yl]ethanone
SMILESCC(=O)C1[C@H](C)C(C)=C(C)[C@@H]1C
InChIInChI=1S/C11H18O/c1-6-7(2)9(4)11(8(6)3)10(5)12/h8-9,11H,1-5H3/t8-,9+,11?
InChIKeyIUWNBUKOKQKVTC-SLHIUPAKSA-N
XLogP2.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(1R,2R,5S)-2,3,4-trimethyl-5-(2,3,6-trimethylphenyl)cyclopent-3-en-1-yl]ethanone
CID 54270900
(3R,4R)-1,2,3,4-tetramethylcyclobutene
CID 15050868
1,2,3,4-tetramethylcyclobutene
CID 565395
1-(6-acetyl-2,5-dimethylcyclohex-3-en-1-yl)ethanone
CID 59435106
1-[(1S,5R,6R)-3-ethenyl-2-methyl-6-bicyclo[3.1.0]hex-2-enyl]ethanone
CID 90951080
1-[(1R,6R)-6-acetyl-3,4-dimethylcyclohex-3-en-1-yl]ethanone
CID 130648203
1-[(2R,3S)-2,3,5-trimethyl-2,3-dihydrofuran-4-yl]ethanone
CID 130765246
1-[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]ethanone
CID 58114065
1-(2,3,4,5-tetramethyl-2,5-dihydropyrrol-1-yl)ethanone
CID 14248785
1,2,3,4,5,6-hexamethylcyclohexene;osmium
CID 173399747
1-(4,6-dimethyl-1,3-dioxan-5-yl)ethanone
CID 90985845
1-(2,5-dimethyl-4,5-dihydro-1,3-oxazol-4-yl)ethanone
CID 89210517

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5S)-2,3,4,5-tetramethylcyclopent-3-en-1-yl]ethanone?
The IUPAC name of 1-[(2R,5S)-2,3,4,5-tetramethylcyclopent-3-en-1-yl]ethanone (CID 59930804) is 1-[(2R,5S)-2,3,4,5-tetramethylcyclopent-3-en-1-yl]ethanone.
What is the SMILES notation for 1-[(2R,5S)-2,3,4,5-tetramethylcyclopent-3-en-1-yl]ethanone?
The canonical SMILES for 1-[(2R,5S)-2,3,4,5-tetramethylcyclopent-3-en-1-yl]ethanone is CC(=O)C1[C@H](C)C(C)=C(C)[C@@H]1C.
What is the InChIKey of 1-[(2R,5S)-2,3,4,5-tetramethylcyclopent-3-en-1-yl]ethanone?
The InChIKey is IUWNBUKOKQKVTC-SLHIUPAKSA-N. The full InChI is InChI=1S/C11H18O/c1-6-7(2)9(4)11(8(6)3)10(5)12/h8-9,11H,1-5H3/t8-,9+,11?.
What are the key properties of 1-[(2R,5S)-2,3,4,5-tetramethylcyclopent-3-en-1-yl]ethanone?
1-[(2R,5S)-2,3,4,5-tetramethylcyclopent-3-en-1-yl]ethanone has a molecular weight of 166.26 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5S)-2,3,4,5-tetramethylcyclopent-3-en-1-yl]ethanone is sourced from PubChem (CID 59930804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).