ethane;[(3E,5Z)-3-ethenyl-2-phenylhepta-3,5-dien-2-yl]benzene

C23H28 — CID 163276575

IUPACethane;[(3E,5Z)-3-ethenyl-2-phenylhepta-3,5-dien-2-yl]benzene
SMILESC=C/C(=C\C=C/C)C(C)(c1ccccc1)c1ccccc1.CC
InChIInChI=1S/C21H22.C2H6/c1-4-6-13-18(5-2)21(3,19-14-9-7-10-15-19)20-16-11-8-12-17-20;1-2/h4-17H,2H2,1,3H3;1-2H3/b6-4-,18-13+;
InChIKeyQGMPURSHMRZUFD-ZXJQMLAYSA-N
MW304.48 g/mol
LogP6.71
Rot. Bonds5

About ethane;[(3E,5Z)-3-ethenyl-2-phenylhepta-3,5-dien-2-yl]benzene

ethane;[(3E,5Z)-3-ethenyl-2-phenylhepta-3,5-dien-2-yl]benzene (PubChem CID 163276575) has the molecular formula C23H28 and a molecular weight of 304.48 g/mol. Its IUPAC name is ethane;[(3E,5Z)-3-ethenyl-2-phenylhepta-3,5-dien-2-yl]benzene.

Molecular Properties

Compound Nameethane;[(3E,5Z)-3-ethenyl-2-phenylhepta-3,5-dien-2-yl]benzene
PubChem CID163276575
Molecular FormulaC23H28
Molecular Weight304.48 g/mol
Exact Mass304.22
IUPAC Nameethane;[(3E,5Z)-3-ethenyl-2-phenylhepta-3,5-dien-2-yl]benzene
SMILESC=C/C(=C\C=C/C)C(C)(c1ccccc1)c1ccccc1.CC
InChIInChI=1S/C21H22.C2H6/c1-4-6-13-18(5-2)21(3,19-14-9-7-10-15-19)20-16-11-8-12-17-20;1-2/h4-17H,2H2,1,3H3;1-2H3/b6-4-,18-13+;
InChIKeyQGMPURSHMRZUFD-ZXJQMLAYSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.48
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene
CID 142292724
(3E,5Z)-3-ethenyl-2-methyl-2-phenylhepta-3,5-dienal
CID 88999679
ethane;[(3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene
CID 142223865
(3E,5Z)-3-ethenyl-2-(1-methylpyrrolidin-3-yl)-2-phenylhepta-3,5-dienamide
CID 143136785
ethane;(4E,6Z)-4-ethenyl-3,3-difluoro-2-methylocta-4,6-dien-2-ol
CID 164918182
1-[(2Z,4E,7E,9E)-5-ethenyl-6-phenyl-7-[(Z)-3-phenylprop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]-4-methoxybenzene
CID 126516005
ethane;N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenylhydroxylamine
CID 144754193
N-[(1E,3E)-4-tert-butylhexa-1,3,5-trienyl]aniline
CID 118027593
(3Z,5Z)-3-methylhepta-1,3,5-triene;toluene;1,4-xylene
CID 143762679
(3E,5E)-1-hydroxy-6-[hydroxy(diphenyl)methyl]octa-3,5,7-trien-2-one
CID 142826257
2-[(2E,4Z)-2-ethenyl-1-(2-methylphenyl)-1-phenylhexa-2,4-dienyl]-1,6-dimethylpyrene
CID 144842172
(3E)-1,1,2-triphenyl-3-[(Z)-prop-1-enyl]hexa-3,5-diene-1,2-diol
CID 170959833

Frequently Asked Questions

What is the IUPAC name of ethane;[(3E,5Z)-3-ethenyl-2-phenylhepta-3,5-dien-2-yl]benzene?
The IUPAC name of ethane;[(3E,5Z)-3-ethenyl-2-phenylhepta-3,5-dien-2-yl]benzene (CID 163276575) is ethane;[(3E,5Z)-3-ethenyl-2-phenylhepta-3,5-dien-2-yl]benzene.
What is the SMILES notation for ethane;[(3E,5Z)-3-ethenyl-2-phenylhepta-3,5-dien-2-yl]benzene?
The canonical SMILES for ethane;[(3E,5Z)-3-ethenyl-2-phenylhepta-3,5-dien-2-yl]benzene is C=C/C(=C\C=C/C)C(C)(c1ccccc1)c1ccccc1.CC.
What is the InChIKey of ethane;[(3E,5Z)-3-ethenyl-2-phenylhepta-3,5-dien-2-yl]benzene?
The InChIKey is QGMPURSHMRZUFD-ZXJQMLAYSA-N. The full InChI is InChI=1S/C21H22.C2H6/c1-4-6-13-18(5-2)21(3,19-14-9-7-10-15-19)20-16-11-8-12-17-20;1-2/h4-17H,2H2,1,3H3;1-2H3/b6-4-,18-13+;.
What are the key properties of ethane;[(3E,5Z)-3-ethenyl-2-phenylhepta-3,5-dien-2-yl]benzene?
ethane;[(3E,5Z)-3-ethenyl-2-phenylhepta-3,5-dien-2-yl]benzene has a molecular weight of 304.48 g/mol, XLogP of 6.71, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(3E,5Z)-3-ethenyl-2-phenylhepta-3,5-dien-2-yl]benzene is sourced from PubChem (CID 163276575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).