1-[(1R)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone;1-[(1S)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone

C20H32O2 — CID 158515007

IUPAC1-[(1R)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone;1-[(1S)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone
SMILESCC(=O)[C@@]1(C)CC=CC1(C)C.CC(=O)[C@]1(C)CC=CC1(C)C
InChIInChI=1S/2C10H16O/c2*1-8(11)10(4)7-5-6-9(10,2)3/h2*5-6H,7H2,1-4H3/t2*10-/m10/s1
InChIKeyHLNFFBNPHHZERN-FTYBWHBYSA-N
MW304.47 g/mol
LogP5.14
Rot. Bonds2

About 1-[(1R)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone;1-[(1S)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone

1-[(1R)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone;1-[(1S)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone (PubChem CID 158515007) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 1-[(1R)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone;1-[(1S)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone.

Molecular Properties

Compound Name1-[(1R)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone;1-[(1S)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone
PubChem CID158515007
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name1-[(1R)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone;1-[(1S)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone
SMILESCC(=O)[C@@]1(C)CC=CC1(C)C.CC(=O)[C@]1(C)CC=CC1(C)C
InChIInChI=1S/2C10H16O/c2*1-8(11)10(4)7-5-6-9(10,2)3/h2*5-6H,7H2,1-4H3/t2*10-/m10/s1
InChIKeyHLNFFBNPHHZERN-FTYBWHBYSA-N
XLogP5.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetic acid
CID 55277575
trimethyl-[1-[(1R)-1,2,2-trimethylcyclopent-3-en-1-yl]ethenyl]silane
CID 159670823
1,2,2-trimethylcyclohex-3-ene-1-carboxylic acid
CID 90472881
1-(1-hydroxy-5,5-dimethylcyclohex-3-en-1-yl)ethanone
CID 45086440
[2-oxo-2-[(1R)-1,2,2-trimethylcyclopent-3-en-1-yl]ethyl] 2-methylbenzoate
CID 166498628
methyl 2-[(1S)-1,2,2-trimethylcyclopent-3-en-1-yl]acetate
CID 122697753
3,3,4,4,5,5-hexamethylcyclohexene
CID 91373510
[2-oxo-2-[(1R)-1,2,2-trimethylcyclopent-3-en-1-yl]ethyl] 3-(4-methylphenyl)propanoate
CID 156677156
1-[(1R)-1,2,2-trimethylcyclopentyl]ethanone
CID 45086010
1-(1-acetylcyclopent-2-en-1-yl)ethanone
CID 45085922
(1S)-1-methylcyclobut-2-ene-1-carbaldehyde
CID 173492994
1-(1,5,5-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
CID 11171530

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone;1-[(1S)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone?
The IUPAC name of 1-[(1R)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone;1-[(1S)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone (CID 158515007) is 1-[(1R)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone;1-[(1S)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone.
What is the SMILES notation for 1-[(1R)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone;1-[(1S)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone?
The canonical SMILES for 1-[(1R)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone;1-[(1S)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone is CC(=O)[C@@]1(C)CC=CC1(C)C.CC(=O)[C@]1(C)CC=CC1(C)C.
What is the InChIKey of 1-[(1R)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone;1-[(1S)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone?
The InChIKey is HLNFFBNPHHZERN-FTYBWHBYSA-N. The full InChI is InChI=1S/2C10H16O/c2*1-8(11)10(4)7-5-6-9(10,2)3/h2*5-6H,7H2,1-4H3/t2*10-/m10/s1.
What are the key properties of 1-[(1R)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone;1-[(1S)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone?
1-[(1R)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone;1-[(1S)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone has a molecular weight of 304.47 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone;1-[(1S)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone is sourced from PubChem (CID 158515007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).