(6Z)-6-benzylidene-2-methyl-2-[(E)-3-oxo-5-phenylpent-4-enyl]cyclohexan-1-one

C25H26O2 — CID 6385330

IUPAC(6Z)-6-benzylidene-2-methyl-2-[(E)-3-oxo-5-phenylpent-4-enyl]cyclohexan-1-one
SMILESCC1(CCC(=O)/C=C/c2ccccc2)CCC/C(=C/c2ccccc2)C1=O
InChIInChI=1S/C25H26O2/c1-25(18-16-23(26)15-14-20-9-4-2-5-10-20)17-8-13-22(24(25)27)19-21-11-6-3-7-12-21/h2-7,9-12,14-15,19H,8,13,16-18H2,1H3/b15-14+,22-19-
InChIKeyUNZSYZJRBRTXKI-PSRUBWQCSA-N
MW358.48 g/mol
LogP5.89
Rot. Bonds6

About (6Z)-6-benzylidene-2-methyl-2-[(E)-3-oxo-5-phenylpent-4-enyl]cyclohexan-1-one

(6Z)-6-benzylidene-2-methyl-2-[(E)-3-oxo-5-phenylpent-4-enyl]cyclohexan-1-one (PubChem CID 6385330) has the molecular formula C25H26O2 and a molecular weight of 358.48 g/mol. Its IUPAC name is (6Z)-6-benzylidene-2-methyl-2-[(E)-3-oxo-5-phenylpent-4-enyl]cyclohexan-1-one.

Molecular Properties

Compound Name(6Z)-6-benzylidene-2-methyl-2-[(E)-3-oxo-5-phenylpent-4-enyl]cyclohexan-1-one
PubChem CID6385330
Molecular FormulaC25H26O2
Molecular Weight358.48 g/mol
Exact Mass358.19
IUPAC Name(6Z)-6-benzylidene-2-methyl-2-[(E)-3-oxo-5-phenylpent-4-enyl]cyclohexan-1-one
SMILESCC1(CCC(=O)/C=C/c2ccccc2)CCC/C(=C/c2ccccc2)C1=O
InChIInChI=1S/C25H26O2/c1-25(18-16-23(26)15-14-20-9-4-2-5-10-20)17-8-13-22(24(25)27)19-21-11-6-3-7-12-21/h2-7,9-12,14-15,19H,8,13,16-18H2,1H3/b15-14+,22-19-
InChIKeyUNZSYZJRBRTXKI-PSRUBWQCSA-N
XLogP5.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6Z)-6-benzylidene-2-methyl-2-[(E)-3-oxo-5-phenylpent-4-enyl]cyclohexan-1-one with MolForge

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Related Compounds

6-benzylidene-2,2-dimethylcyclohexan-1-one
CID 598624
(6Z)-6-benzylidene-2,2-bis(hydroxymethyl)cyclohexan-1-one
CID 117060458
(5E)-5-benzylidene-2-[(dimethylamino)methyl]-2-methylcyclopentan-1-one;hydrochloride
CID 6516835
(E)-2,4-dioxo-6-phenylhex-5-enal
CID 144721272
2-[(3E)-3-[(4-chlorophenyl)methylidene]-1-methyl-2-oxocyclopentyl]acetic acid
CID 19962626
(E)-5-oxo-7-phenylhept-6-enoic acid
CID 15101995
5-oxo-7-phenylhept-6-enoic acid
CID 72745047
1-phenylundec-1-en-3-one
CID 3805572
(Z)-1-phenyltetradec-1-en-3-one
CID 98536945
(6E)-2,6-dibenzylidenecyclohexan-1-one
CID 1240877
[(1S)-3-benzylidene-1-(2-chlorophenyl)-2-oxocyclohexyl]-methylazanium
CID 7042649
(E)-5-[4-[(E)-3-oxo-5-phenylpent-4-enyl]piperazin-1-yl]-1-phenylpent-1-en-3-one;hydrochloride
CID 6518597

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-benzylidene-2-methyl-2-[(E)-3-oxo-5-phenylpent-4-enyl]cyclohexan-1-one?
The IUPAC name of (6Z)-6-benzylidene-2-methyl-2-[(E)-3-oxo-5-phenylpent-4-enyl]cyclohexan-1-one (CID 6385330) is (6Z)-6-benzylidene-2-methyl-2-[(E)-3-oxo-5-phenylpent-4-enyl]cyclohexan-1-one.
What is the SMILES notation for (6Z)-6-benzylidene-2-methyl-2-[(E)-3-oxo-5-phenylpent-4-enyl]cyclohexan-1-one?
The canonical SMILES for (6Z)-6-benzylidene-2-methyl-2-[(E)-3-oxo-5-phenylpent-4-enyl]cyclohexan-1-one is CC1(CCC(=O)/C=C/c2ccccc2)CCC/C(=C/c2ccccc2)C1=O.
What is the InChIKey of (6Z)-6-benzylidene-2-methyl-2-[(E)-3-oxo-5-phenylpent-4-enyl]cyclohexan-1-one?
The InChIKey is UNZSYZJRBRTXKI-PSRUBWQCSA-N. The full InChI is InChI=1S/C25H26O2/c1-25(18-16-23(26)15-14-20-9-4-2-5-10-20)17-8-13-22(24(25)27)19-21-11-6-3-7-12-21/h2-7,9-12,14-15,19H,8,13,16-18H2,1H3/b15-14+,22-19-.
What are the key properties of (6Z)-6-benzylidene-2-methyl-2-[(E)-3-oxo-5-phenylpent-4-enyl]cyclohexan-1-one?
(6Z)-6-benzylidene-2-methyl-2-[(E)-3-oxo-5-phenylpent-4-enyl]cyclohexan-1-one has a molecular weight of 358.48 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-benzylidene-2-methyl-2-[(E)-3-oxo-5-phenylpent-4-enyl]cyclohexan-1-one is sourced from PubChem (CID 6385330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).