1-ethenyl-4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene

C15H16 — CID 143222208

IUPAC1-ethenyl-4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene
SMILESC=Cc1ccc(C(=C)/C=C\C=C/C)cc1
InChIInChI=1S/C15H16/c1-4-6-7-8-13(3)15-11-9-14(5-2)10-12-15/h4-12H,2-3H2,1H3/b6-4-,8-7-
InChIKeyVLBUFCHZVAZPKZ-MOIRPGTBSA-N
MW196.29 g/mol
LogP4.48
Rot. Bonds4

About 1-ethenyl-4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene

1-ethenyl-4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene (PubChem CID 143222208) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-ethenyl-4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene.

Molecular Properties

Compound Name1-ethenyl-4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene
PubChem CID143222208
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name1-ethenyl-4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene
SMILESC=Cc1ccc(C(=C)/C=C\C=C/C)cc1
InChIInChI=1S/C15H16/c1-4-6-7-8-13(3)15-11-9-14(5-2)10-12-15/h4-12H,2-3H2,1H3/b6-4-,8-7-
InChIKeyVLBUFCHZVAZPKZ-MOIRPGTBSA-N
XLogP4.48
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 ≤ 54.48
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;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylbenzene
CID 143259636
ethane;[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;toluene
CID 142469927
ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylbenzene
CID 143170529
1-(1-chloroethenyl)-4-ethenylbenzene
CID 58298786
1-bromo-4-[(3Z)-penta-1,3-dien-2-yl]benzene
CID 144724093
1-(4-ethenylphenyl)ethenyl-dimethylsilane
CID 173378216
ethane;1-[4-[(3Z)-hexa-1,3,5-trien-2-yl]phenyl]ethanone
CID 142253837
[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;N-methyl-4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 143067180
ethane;1-ethyl-4-[(3Z)-hexa-1,3,5-trien-2-yl]benzene
CID 143259588
2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-5-methylthiophene
CID 89097049
3-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-methyl-N-[(3-methylphenyl)methyl]prop-1-en-2-amine
CID 126624466
ethane;[(3Z)-penta-1,3-dien-2-yl]benzene
CID 142853648

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene?
The IUPAC name of 1-ethenyl-4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene (CID 143222208) is 1-ethenyl-4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene.
What is the SMILES notation for 1-ethenyl-4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene?
The canonical SMILES for 1-ethenyl-4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene is C=Cc1ccc(C(=C)/C=C\C=C/C)cc1.
What is the InChIKey of 1-ethenyl-4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene?
The InChIKey is VLBUFCHZVAZPKZ-MOIRPGTBSA-N. The full InChI is InChI=1S/C15H16/c1-4-6-7-8-13(3)15-11-9-14(5-2)10-12-15/h4-12H,2-3H2,1H3/b6-4-,8-7-.
What are the key properties of 1-ethenyl-4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene?
1-ethenyl-4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene has a molecular weight of 196.29 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene is sourced from PubChem (CID 143222208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).