1-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-methylbenzene

C15H16 — CID 142164883

IUPAC1-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-methylbenzene
SMILESC=C/C=C(C=C)/C=C/c1ccc(C)cc1
InChIInChI=1S/C15H16/c1-4-6-14(5-2)11-12-15-9-7-13(3)8-10-15/h4-12H,1-2H2,3H3/b12-11+,14-6+
InChIKeyWUZGUFABMWMVHT-QTDCPVIDSA-N
MW196.29 g/mol
LogP4.31
Rot. Bonds4

About 1-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-methylbenzene

1-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-methylbenzene (PubChem CID 142164883) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-methylbenzene
PubChem CID142164883
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name1-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-methylbenzene
SMILESC=C/C=C(C=C)/C=C/c1ccc(C)cc1
InChIInChI=1S/C15H16/c1-4-6-14(5-2)11-12-15-9-7-13(3)8-10-15/h4-12H,1-2H2,3H3/b12-11+,14-6+
InChIKeyWUZGUFABMWMVHT-QTDCPVIDSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 54.31
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

1-[(1E,3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraenyl]-4-methylbenzene;ethane
CID 142174237
1-methyl-4-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]benzene
CID 142964933
1-methyl-4-[4-[(4Z)-3-methylidenehepta-1,4,6-trienyl]phenyl]benzene
CID 145376041
[(1Z,3E,4Z)-3-prop-2-enylidenehepta-1,4-dienyl]benzene
CID 155701401
(E)-3-(4-methylphenyl)prop-2-enoic acid
CID 731767
1-[(1Z,3E)-3-(4-methylphenyl)hexa-1,3,5-trienyl]-4-(3-phenylphenyl)benzene
CID 145299688
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
3-methylidene-5-(4-methylphenyl)pent-4-en-2-ol
CID 71415026
1-methyl-4-[3,7,12,16-tetramethyl-18-(4-methylphenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]benzene
CID 153329326
ethane;(2E,4E)-4-ethenylhepta-2,4,6-trienal;3-methylbenzaldehyde;[(E)-prop-1-enyl]benzene
CID 143010091
(Z)-1-(furan-2-yl)-3-(4-methylphenyl)prop-2-en-1-one
CID 92909359

Frequently Asked Questions

What is the IUPAC name of 1-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-methylbenzene?
The IUPAC name of 1-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-methylbenzene (CID 142164883) is 1-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-methylbenzene.
What is the SMILES notation for 1-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-methylbenzene?
The canonical SMILES for 1-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-methylbenzene is C=C/C=C(C=C)/C=C/c1ccc(C)cc1.
What is the InChIKey of 1-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-methylbenzene?
The InChIKey is WUZGUFABMWMVHT-QTDCPVIDSA-N. The full InChI is InChI=1S/C15H16/c1-4-6-14(5-2)11-12-15-9-7-13(3)8-10-15/h4-12H,1-2H2,3H3/b12-11+,14-6+.
What are the key properties of 1-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-methylbenzene?
1-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-methylbenzene has a molecular weight of 196.29 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-methylbenzene is sourced from PubChem (CID 142164883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).