[(3E,5E,7E)-7-ethenyl-6-methyldeca-1,3,5,7,9-pentaen-4-yl]benzene

C19H20 — CID 145134846

IUPAC[(3E,5E,7E)-7-ethenyl-6-methyldeca-1,3,5,7,9-pentaen-4-yl]benzene
SMILESC=C/C=C(C=C)/C(C)=C/C(=C\C=C)c1ccccc1
InChIInChI=1S/C19H20/c1-5-11-17(7-3)16(4)15-19(12-6-2)18-13-9-8-10-14-18/h5-15H,1-3H2,4H3/b16-15+,17-11+,19-12+
InChIKeyDPWCRPLNIVIAPD-MERXXMOLSA-N
MW248.37 g/mol
LogP5.50
Rot. Bonds6

About [(3E,5E,7E)-7-ethenyl-6-methyldeca-1,3,5,7,9-pentaen-4-yl]benzene

[(3E,5E,7E)-7-ethenyl-6-methyldeca-1,3,5,7,9-pentaen-4-yl]benzene (PubChem CID 145134846) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is [(3E,5E,7E)-7-ethenyl-6-methyldeca-1,3,5,7,9-pentaen-4-yl]benzene.

Molecular Properties

Compound Name[(3E,5E,7E)-7-ethenyl-6-methyldeca-1,3,5,7,9-pentaen-4-yl]benzene
PubChem CID145134846
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name[(3E,5E,7E)-7-ethenyl-6-methyldeca-1,3,5,7,9-pentaen-4-yl]benzene
SMILESC=C/C=C(C=C)/C(C)=C/C(=C\C=C)c1ccccc1
InChIInChI=1S/C19H20/c1-5-11-17(7-3)16(4)15-19(12-6-2)18-13-9-8-10-14-18/h5-15H,1-3H2,4H3/b16-15+,17-11+,19-12+
InChIKeyDPWCRPLNIVIAPD-MERXXMOLSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.50
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

ethane;[(3E)-hexa-1,3,5-trien-3-yl]benzene;molecular hydrogen
CID 142347036
(3Z,5Z)-5-phenylocta-3,5,7-trien-3-ol
CID 142021955
(2E)-2-methyl-1-phenylpenta-2,4-dien-1-one
CID 134395022
[(3E)-3-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-phenylhexa-1,3,5-trienyl]benzene
CID 142373254
(2E,4E,6E,8Z)-2,6-dimethyl-1-phenyl-4-prop-2-enylideneundeca-2,6,8,10-tetraene-1,5-dione
CID 146535524
N-[(2E)-1-amino-2-ethenylpenta-2,4-dienylidene]-N'-methylbenzenecarboximidamide
CID 142597638
[(3E)-3-ethenylhexa-1,3,5-trien-2-yl] benzoate
CID 143295221
1-[(3E)-hexa-1,3,5-trien-3-yl]-3-prop-1-en-2-ylbenzene
CID 156839306
(2E,4Z)-2-methyl-4-phenylhexa-2,4-dienoic acid
CID 170872983
1-phenylbuta-1,3-dienylbenzene;samarium
CID 173396801
(2E,4E,7E,9Z)-5-ethenyl-6-methylidene-8-phenylundeca-2,4,7,9-tetraene-3-thiol
CID 170266079
butane;1-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylbenzene;1-methyl-4-phenylbenzene
CID 143258113

Frequently Asked Questions

What is the IUPAC name of [(3E,5E,7E)-7-ethenyl-6-methyldeca-1,3,5,7,9-pentaen-4-yl]benzene?
The IUPAC name of [(3E,5E,7E)-7-ethenyl-6-methyldeca-1,3,5,7,9-pentaen-4-yl]benzene (CID 145134846) is [(3E,5E,7E)-7-ethenyl-6-methyldeca-1,3,5,7,9-pentaen-4-yl]benzene.
What is the SMILES notation for [(3E,5E,7E)-7-ethenyl-6-methyldeca-1,3,5,7,9-pentaen-4-yl]benzene?
The canonical SMILES for [(3E,5E,7E)-7-ethenyl-6-methyldeca-1,3,5,7,9-pentaen-4-yl]benzene is C=C/C=C(C=C)/C(C)=C/C(=C\C=C)c1ccccc1.
What is the InChIKey of [(3E,5E,7E)-7-ethenyl-6-methyldeca-1,3,5,7,9-pentaen-4-yl]benzene?
The InChIKey is DPWCRPLNIVIAPD-MERXXMOLSA-N. The full InChI is InChI=1S/C19H20/c1-5-11-17(7-3)16(4)15-19(12-6-2)18-13-9-8-10-14-18/h5-15H,1-3H2,4H3/b16-15+,17-11+,19-12+.
What are the key properties of [(3E,5E,7E)-7-ethenyl-6-methyldeca-1,3,5,7,9-pentaen-4-yl]benzene?
[(3E,5E,7E)-7-ethenyl-6-methyldeca-1,3,5,7,9-pentaen-4-yl]benzene has a molecular weight of 248.37 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5E,7E)-7-ethenyl-6-methyldeca-1,3,5,7,9-pentaen-4-yl]benzene is sourced from PubChem (CID 145134846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).