2-(cyclohexen-1-yl)-1,2-di(cyclopenten-1-yl)-2-hydroxyethanone

C18H24O2 — CID 67914178

IUPAC2-(cyclohexen-1-yl)-1,2-di(cyclopenten-1-yl)-2-hydroxyethanone
SMILESO=C(C1=CCCC1)C(O)(C1=CCCC1)C1=CCCCC1
InChIInChI=1S/C18H24O2/c19-17(14-8-4-5-9-14)18(20,16-12-6-7-13-16)15-10-2-1-3-11-15/h8,10,12,20H,1-7,9,11,13H2
InChIKeyMQCPEYDREOBSMF-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.01
Rot. Bonds4

About 2-(cyclohexen-1-yl)-1,2-di(cyclopenten-1-yl)-2-hydroxyethanone

2-(cyclohexen-1-yl)-1,2-di(cyclopenten-1-yl)-2-hydroxyethanone (PubChem CID 67914178) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1,2-di(cyclopenten-1-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1,2-di(cyclopenten-1-yl)-2-hydroxyethanone
PubChem CID67914178
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name2-(cyclohexen-1-yl)-1,2-di(cyclopenten-1-yl)-2-hydroxyethanone
SMILESO=C(C1=CCCC1)C(O)(C1=CCCC1)C1=CCCCC1
InChIInChI=1S/C18H24O2/c19-17(14-8-4-5-9-14)18(20,16-12-6-7-13-16)15-10-2-1-3-11-15/h8,10,12,20H,1-7,9,11,13H2
InChIKeyMQCPEYDREOBSMF-UHFFFAOYSA-N
XLogP4.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.01
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-(cyclohexen-1-yl)-2,2,3,3-tetramethylbutan-1-one
CID 130677283
2-(cyclohexen-1-yl)-2-hydroxy-2-phenylacetic acid
CID 15515052
2-chloro-1-(cyclohepten-1-yl)-2,2-difluoroethanone
CID 106652177
2-[(1E)-cyclododecen-1-yl]propan-2-ol
CID 88736896
[1,2-di(cyclopenten-1-yl)-1-oxopropan-2-yl] prop-2-enoate
CID 67938353
1-[(1E)-cycloocten-1-yl]-2-methyl-2-phenylpropan-1-one
CID 106651815
2-(cyclohexen-1-yl)-2-fluoropropanoic acid
CID 105435083
2-tert-butylsulfanyl-1-(cyclohepten-1-yl)ethanone
CID 106651877
1-(cyclohepten-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 106655601
1-(cycloocten-1-yl)-2-(diethylamino)-2-methylbutan-1-one
CID 106651982
cycloheptene-1-carboxamide
CID 22261654
2,2-dimethylpropanoyl cyclohexene-1-carboxylate
CID 101420959

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1,2-di(cyclopenten-1-yl)-2-hydroxyethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1,2-di(cyclopenten-1-yl)-2-hydroxyethanone (CID 67914178) is 2-(cyclohexen-1-yl)-1,2-di(cyclopenten-1-yl)-2-hydroxyethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1,2-di(cyclopenten-1-yl)-2-hydroxyethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1,2-di(cyclopenten-1-yl)-2-hydroxyethanone is O=C(C1=CCCC1)C(O)(C1=CCCC1)C1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1,2-di(cyclopenten-1-yl)-2-hydroxyethanone?
The InChIKey is MQCPEYDREOBSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c19-17(14-8-4-5-9-14)18(20,16-12-6-7-13-16)15-10-2-1-3-11-15/h8,10,12,20H,1-7,9,11,13H2.
What are the key properties of 2-(cyclohexen-1-yl)-1,2-di(cyclopenten-1-yl)-2-hydroxyethanone?
2-(cyclohexen-1-yl)-1,2-di(cyclopenten-1-yl)-2-hydroxyethanone has a molecular weight of 272.39 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1,2-di(cyclopenten-1-yl)-2-hydroxyethanone is sourced from PubChem (CID 67914178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).