1-[(1R,5S)-5-hydroxy-2,3,5-trimethylcyclopent-2-en-1-yl]ethanone

C10H16O2 — CID 131007708

IUPAC1-[(1R,5S)-5-hydroxy-2,3,5-trimethylcyclopent-2-en-1-yl]ethanone
SMILESCC(=O)[C@@H]1C(C)=C(C)C[C@]1(C)O
InChIInChI=1S/C10H16O2/c1-6-5-10(4,12)9(7(6)2)8(3)11/h9,12H,5H2,1-4H3/t9-,10-/m0/s1
InChIKeyXHUGCLVEEJXLBO-UWVGGRQHSA-N
MW168.24 g/mol
LogP1.68
Rot. Bonds1

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

1-[(1R,5S)-5-hydroxy-2,3,5-trimethylcyclopent-2-en-1-yl]ethanone (PubChem CID 131007708) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-[(1R,5S)-5-hydroxy-2,3,5-trimethylcyclopent-2-en-1-yl]ethanone.

Molecular Properties

Compound Name1-[(1R,5S)-5-hydroxy-2,3,5-trimethylcyclopent-2-en-1-yl]ethanone
PubChem CID131007708
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-[(1R,5S)-5-hydroxy-2,3,5-trimethylcyclopent-2-en-1-yl]ethanone
SMILESCC(=O)[C@@H]1C(C)=C(C)C[C@]1(C)O
InChIInChI=1S/C10H16O2/c1-6-5-10(4,12)9(7(6)2)8(3)11/h9,12H,5H2,1-4H3/t9-,10-/m0/s1
InChIKeyXHUGCLVEEJXLBO-UWVGGRQHSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-dimethyl-3-methylidenecyclopropyl)ethanone
CID 12754424
(1S,2R)-2-(1-chloro-2-methylprop-1-enyl)-1-methoxycarbonyl-3,4-dimethylcyclopent-3-ene-1-carboxylic acid
CID 139182889
(2R,3R,4R,5R)-2,4-diacetyl-5-hydroxy-3,5-dimethylcyclohexan-1-one
CID 6581825
(3R,4R)-4-acetyl-10-[(1S,2S)-1-acetyl-2,5,10-trihydroxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl]-3,8,9-trihydroxy-3-methyl-2,4-dihydroanthracen-1-one
CID 155859116
1-[(1R,6R)-6-acetyl-3,4-dimethylcyclohex-3-en-1-yl]ethanone
CID 130648203
1-[(1R,2S,6R)-3-acetyl-4,6-dihydroxy-2,6-dimethylcyclohex-3-en-1-yl]ethanone
CID 7370037
10-acetyl-9-methylspiro[4.5]dec-8-en-7-one
CID 68723788
1-(4-hydroxy-1,4-dimethylpiperidin-1-ium-3-yl)ethanone
CID 4079044
1-[(5R)-2,4,4-trimethyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]ethanone
CID 102030832
1-[(1R,2R,6R)-3-acetyl-4,6-dihydroxy-6-methyl-2-(4-methylphenyl)cyclohex-3-en-1-yl]ethanone
CID 7110197
1-(1,3,4,5,6,8,10,11,12,13-decamethyl-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethanone
CID 101152953
1-(2,3,6,6-tetramethylcyclohex-2-en-1-yl)pent-2-en-1-one
CID 57265956

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5S)-5-hydroxy-2,3,5-trimethylcyclopent-2-en-1-yl]ethanone?
The IUPAC name of 1-[(1R,5S)-5-hydroxy-2,3,5-trimethylcyclopent-2-en-1-yl]ethanone (CID 131007708) is 1-[(1R,5S)-5-hydroxy-2,3,5-trimethylcyclopent-2-en-1-yl]ethanone.
What is the SMILES notation for 1-[(1R,5S)-5-hydroxy-2,3,5-trimethylcyclopent-2-en-1-yl]ethanone?
The canonical SMILES for 1-[(1R,5S)-5-hydroxy-2,3,5-trimethylcyclopent-2-en-1-yl]ethanone is CC(=O)[C@@H]1C(C)=C(C)C[C@]1(C)O.
What is the InChIKey of 1-[(1R,5S)-5-hydroxy-2,3,5-trimethylcyclopent-2-en-1-yl]ethanone?
The InChIKey is XHUGCLVEEJXLBO-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H16O2/c1-6-5-10(4,12)9(7(6)2)8(3)11/h9,12H,5H2,1-4H3/t9-,10-/m0/s1.
What are the key properties of 1-[(1R,5S)-5-hydroxy-2,3,5-trimethylcyclopent-2-en-1-yl]ethanone?
1-[(1R,5S)-5-hydroxy-2,3,5-trimethylcyclopent-2-en-1-yl]ethanone has a molecular weight of 168.24 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5S)-5-hydroxy-2,3,5-trimethylcyclopent-2-en-1-yl]ethanone is sourced from PubChem (CID 131007708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).