3-[(E)-3-oxo-1-phenyloct-1-enyl]cyclohex-2-en-1-one

C20H24O2 — CID 11529491

IUPAC3-[(E)-3-oxo-1-phenyloct-1-enyl]cyclohex-2-en-1-one
SMILESCCCCCC(=O)/C=C(\C1=CC(=O)CCC1)c1ccccc1
InChIInChI=1S/C20H24O2/c1-2-3-5-12-19(22)15-20(16-9-6-4-7-10-16)17-11-8-13-18(21)14-17/h4,6-7,9-10,14-15H,2-3,5,8,11-13H2,1H3/b20-15-
InChIKeyGQIGXRUAYRIKBX-HKWRFOASSA-N
MW296.41 g/mol
LogP4.90
Rot. Bonds7

About 3-[(E)-3-oxo-1-phenyloct-1-enyl]cyclohex-2-en-1-one

3-[(E)-3-oxo-1-phenyloct-1-enyl]cyclohex-2-en-1-one (PubChem CID 11529491) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-[(E)-3-oxo-1-phenyloct-1-enyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-[(E)-3-oxo-1-phenyloct-1-enyl]cyclohex-2-en-1-one
PubChem CID11529491
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name3-[(E)-3-oxo-1-phenyloct-1-enyl]cyclohex-2-en-1-one
SMILESCCCCCC(=O)/C=C(\C1=CC(=O)CCC1)c1ccccc1
InChIInChI=1S/C20H24O2/c1-2-3-5-12-19(22)15-20(16-9-6-4-7-10-16)17-11-8-13-18(21)14-17/h4,6-7,9-10,14-15H,2-3,5,8,11-13H2,1H3/b20-15-
InChIKeyGQIGXRUAYRIKBX-HKWRFOASSA-N
XLogP4.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,1-diphenylhept-1-en-3-one
CID 69091035
N-(3-oxocyclohexen-1-yl)octanamide
CID 53239922
1-phenylheptadecan-1-one
CID 577626
2-(1-phenylnonylidene)cyclopentan-1-one
CID 71428415
3-(2,2-diphenylethenyl)cyclohex-2-en-1-one
CID 10084734
methyl benzoate;undecan-6-one
CID 174958584
1-phenylnonane-1,4-dione
CID 570990
N'-octanoylbenzohydrazide
CID 4227469
N'-heptanoylbenzohydrazide
CID 4218130
N'-nonanoylbenzohydrazide
CID 5163159
(3-oxocyclohexen-1-yl) nonanoate
CID 91181212
CID 132915644
CID 132915644

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-oxo-1-phenyloct-1-enyl]cyclohex-2-en-1-one?
The IUPAC name of 3-[(E)-3-oxo-1-phenyloct-1-enyl]cyclohex-2-en-1-one (CID 11529491) is 3-[(E)-3-oxo-1-phenyloct-1-enyl]cyclohex-2-en-1-one.
What is the SMILES notation for 3-[(E)-3-oxo-1-phenyloct-1-enyl]cyclohex-2-en-1-one?
The canonical SMILES for 3-[(E)-3-oxo-1-phenyloct-1-enyl]cyclohex-2-en-1-one is CCCCCC(=O)/C=C(\C1=CC(=O)CCC1)c1ccccc1.
What is the InChIKey of 3-[(E)-3-oxo-1-phenyloct-1-enyl]cyclohex-2-en-1-one?
The InChIKey is GQIGXRUAYRIKBX-HKWRFOASSA-N. The full InChI is InChI=1S/C20H24O2/c1-2-3-5-12-19(22)15-20(16-9-6-4-7-10-16)17-11-8-13-18(21)14-17/h4,6-7,9-10,14-15H,2-3,5,8,11-13H2,1H3/b20-15-.
What are the key properties of 3-[(E)-3-oxo-1-phenyloct-1-enyl]cyclohex-2-en-1-one?
3-[(E)-3-oxo-1-phenyloct-1-enyl]cyclohex-2-en-1-one has a molecular weight of 296.41 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-oxo-1-phenyloct-1-enyl]cyclohex-2-en-1-one is sourced from PubChem (CID 11529491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).