[(Z)-4-(2-phenylethenyl)-3-propylhept-3-en-1-ynyl]benzene

C24H26 — CID 11029415

IUPAC[(Z)-4-(2-phenylethenyl)-3-propylhept-3-en-1-ynyl]benzene
SMILESCCC/C(C#Cc1ccccc1)=C(/C=Cc1ccccc1)CCC
InChIInChI=1S/C24H26/c1-3-11-23(19-17-21-13-7-5-8-14-21)24(12-4-2)20-18-22-15-9-6-10-16-22/h5-10,13-17,19H,3-4,11-12H2,1-2H3/b19-17?,24-23-
InChIKeyVQEMAMHPBCOENZ-XTCTYZEBSA-N
MW314.47 g/mol
LogP6.65
Rot. Bonds6

About [(Z)-4-(2-phenylethenyl)-3-propylhept-3-en-1-ynyl]benzene

[(Z)-4-(2-phenylethenyl)-3-propylhept-3-en-1-ynyl]benzene (PubChem CID 11029415) has the molecular formula C24H26 and a molecular weight of 314.47 g/mol. Its IUPAC name is [(Z)-4-(2-phenylethenyl)-3-propylhept-3-en-1-ynyl]benzene.

Molecular Properties

Compound Name[(Z)-4-(2-phenylethenyl)-3-propylhept-3-en-1-ynyl]benzene
PubChem CID11029415
Molecular FormulaC24H26
Molecular Weight314.47 g/mol
Exact Mass314.20
IUPAC Name[(Z)-4-(2-phenylethenyl)-3-propylhept-3-en-1-ynyl]benzene
SMILESCCC/C(C#Cc1ccccc1)=C(/C=Cc1ccccc1)CCC
InChIInChI=1S/C24H26/c1-3-11-23(19-17-21-13-7-5-8-14-21)24(12-4-2)20-18-22-15-9-6-10-16-22/h5-10,13-17,19H,3-4,11-12H2,1-2H3/b19-17?,24-23-
InChIKeyVQEMAMHPBCOENZ-XTCTYZEBSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-3-butyl-4-(2-phenylethynyl)oct-3-en-1-ynyl]benzene
CID 10925864
2-[(E)-1-phenylpent-1-en-3-ylidene]propanedinitrile
CID 102042134
(3E)-3-benzylidene-1-phenylhept-1-yn-4-one
CID 162373117
(Z)-1-phenyltetradec-1-en-3-one
CID 98536945
1-phenylundec-1-en-3-one
CID 3805572
(E)-4,5-bis(2-phenylethynyl)oct-4-enedinitrile
CID 134977334
bis(2-phenylethynyl)silyl butanoate
CID 154129749
(7E)-2-methyl-6-oxo-8-phenyl-3-(2-phenylethenyl)octa-2,7-dienoic acid
CID 173175041
(Z)-2-(4-fluorophenyl)-4-(2-phenylethynyl)-3-propylhept-3-en-2-ol
CID 11302555
2-(2-cyanoethenyl)-3-(2-phenylethenyl)hept-2-enoic acid
CID 87526771
2-(1-phenylpent-1-en-3-ylidene)octanoic acid
CID 87704389
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-(2-phenylethenyl)-3-propylhept-3-en-1-ynyl]benzene?
The IUPAC name of [(Z)-4-(2-phenylethenyl)-3-propylhept-3-en-1-ynyl]benzene (CID 11029415) is [(Z)-4-(2-phenylethenyl)-3-propylhept-3-en-1-ynyl]benzene.
What is the SMILES notation for [(Z)-4-(2-phenylethenyl)-3-propylhept-3-en-1-ynyl]benzene?
The canonical SMILES for [(Z)-4-(2-phenylethenyl)-3-propylhept-3-en-1-ynyl]benzene is CCC/C(C#Cc1ccccc1)=C(/C=Cc1ccccc1)CCC.
What is the InChIKey of [(Z)-4-(2-phenylethenyl)-3-propylhept-3-en-1-ynyl]benzene?
The InChIKey is VQEMAMHPBCOENZ-XTCTYZEBSA-N. The full InChI is InChI=1S/C24H26/c1-3-11-23(19-17-21-13-7-5-8-14-21)24(12-4-2)20-18-22-15-9-6-10-16-22/h5-10,13-17,19H,3-4,11-12H2,1-2H3/b19-17?,24-23-.
What are the key properties of [(Z)-4-(2-phenylethenyl)-3-propylhept-3-en-1-ynyl]benzene?
[(Z)-4-(2-phenylethenyl)-3-propylhept-3-en-1-ynyl]benzene has a molecular weight of 314.47 g/mol, XLogP of 6.65, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-(2-phenylethenyl)-3-propylhept-3-en-1-ynyl]benzene is sourced from PubChem (CID 11029415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).