(3Z,6Z)-1-phenyl-3-[(Z)-prop-1-enyl]octa-3,6-dien-1-one

C17H20O — CID 143164672

IUPAC(3Z,6Z)-1-phenyl-3-[(Z)-prop-1-enyl]octa-3,6-dien-1-one
SMILESC/C=C\C/C=C(\C=C/C)CC(=O)c1ccccc1
InChIInChI=1S/C17H20O/c1-3-5-7-11-15(10-4-2)14-17(18)16-12-8-6-9-13-16/h3-6,8-13H,7,14H2,1-2H3/b5-3-,10-4-,15-11+
InChIKeyHTGHGFLJIKATDL-FKUDCDGBSA-N
MW240.35 g/mol
LogP4.73
Rot. Bonds6

About (3Z,6Z)-1-phenyl-3-[(Z)-prop-1-enyl]octa-3,6-dien-1-one

(3Z,6Z)-1-phenyl-3-[(Z)-prop-1-enyl]octa-3,6-dien-1-one (PubChem CID 143164672) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is (3Z,6Z)-1-phenyl-3-[(Z)-prop-1-enyl]octa-3,6-dien-1-one.

Molecular Properties

Compound Name(3Z,6Z)-1-phenyl-3-[(Z)-prop-1-enyl]octa-3,6-dien-1-one
PubChem CID143164672
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name(3Z,6Z)-1-phenyl-3-[(Z)-prop-1-enyl]octa-3,6-dien-1-one
SMILESC/C=C\C/C=C(\C=C/C)CC(=O)c1ccccc1
InChIInChI=1S/C17H20O/c1-3-5-7-11-15(10-4-2)14-17(18)16-12-8-6-9-13-16/h3-6,8-13H,7,14H2,1-2H3/b5-3-,10-4-,15-11+
InChIKeyHTGHGFLJIKATDL-FKUDCDGBSA-N
XLogP4.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
(Z)-3-methyl-1-phenylpent-3-en-1-one
CID 101075943
(E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione
CID 175490390
erbium;1-phenylbutane-1,3-dione
CID 175058632
europium;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione)
CID 159123856
dimethyl-(4-oxo-4-phenylbutan-2-ylidene)azanium
CID 134924771
(2Z,4E)-3-phenylhexa-2,4-dienoic acid
CID 10397589
ethane;3-(methylamino)-1-phenylpropan-1-one
CID 91239900
3-oxo-3-phenylpropanoic acid;silver
CID 87120895
(Z,3Z)-1-(4-fluorophenyl)-3-[(methylideneamino)methylidene]hex-4-en-1-one
CID 143779389
(E)-3-benzhydrylidenehex-4-en-2-one
CID 101384989

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-1-phenyl-3-[(Z)-prop-1-enyl]octa-3,6-dien-1-one?
The IUPAC name of (3Z,6Z)-1-phenyl-3-[(Z)-prop-1-enyl]octa-3,6-dien-1-one (CID 143164672) is (3Z,6Z)-1-phenyl-3-[(Z)-prop-1-enyl]octa-3,6-dien-1-one.
What is the SMILES notation for (3Z,6Z)-1-phenyl-3-[(Z)-prop-1-enyl]octa-3,6-dien-1-one?
The canonical SMILES for (3Z,6Z)-1-phenyl-3-[(Z)-prop-1-enyl]octa-3,6-dien-1-one is C/C=C\C/C=C(\C=C/C)CC(=O)c1ccccc1.
What is the InChIKey of (3Z,6Z)-1-phenyl-3-[(Z)-prop-1-enyl]octa-3,6-dien-1-one?
The InChIKey is HTGHGFLJIKATDL-FKUDCDGBSA-N. The full InChI is InChI=1S/C17H20O/c1-3-5-7-11-15(10-4-2)14-17(18)16-12-8-6-9-13-16/h3-6,8-13H,7,14H2,1-2H3/b5-3-,10-4-,15-11+.
What are the key properties of (3Z,6Z)-1-phenyl-3-[(Z)-prop-1-enyl]octa-3,6-dien-1-one?
(3Z,6Z)-1-phenyl-3-[(Z)-prop-1-enyl]octa-3,6-dien-1-one has a molecular weight of 240.35 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-1-phenyl-3-[(Z)-prop-1-enyl]octa-3,6-dien-1-one is sourced from PubChem (CID 143164672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).