[(1E,4E)-hexa-1,4-dienyl]benzene

C12H14 — CID 13068859

IUPAC[(1E,4E)-hexa-1,4-dienyl]benzene
SMILESC/C=C/C/C=C/c1ccccc1
InChIInChI=1S/C12H14/c1-2-3-4-6-9-12-10-7-5-8-11-12/h2-3,5-11H,4H2,1H3/b3-2+,9-6+
InChIKeyMPTNWWDJXHUNCU-SYWUFUJHSA-N
MW158.24 g/mol
LogP3.67
Rot. Bonds3

About [(1E,4E)-hexa-1,4-dienyl]benzene

[(1E,4E)-hexa-1,4-dienyl]benzene (PubChem CID 13068859) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is [(1E,4E)-hexa-1,4-dienyl]benzene.

Molecular Properties

Compound Name[(1E,4E)-hexa-1,4-dienyl]benzene
PubChem CID13068859
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name[(1E,4E)-hexa-1,4-dienyl]benzene
SMILESC/C=C/C/C=C/c1ccccc1
InChIInChI=1S/C12H14/c1-2-3-4-6-9-12-10-7-5-8-11-12/h2-3,5-11H,4H2,1H3/b3-2+,9-6+
InChIKeyMPTNWWDJXHUNCU-SYWUFUJHSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(1E,4E,8E)-deca-1,4,8-trienyl]benzene
CID 5368425
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
ethane;[(1E,5Z)-hepta-1,5-dienyl]benzene;methoxymethane
CID 143006426
[(1E,4Z,6Z)-nona-1,4,6-trienyl]benzene
CID 142095527
benzene;but-1-enylbenzene
CID 157481332
(1E,5E)-1-phenylhepta-1,5-dien-4-ol
CID 100975516
ethane;[(Z)-prop-1-enyl]benzene
CID 90831801
CID 157355117
CID 157355117
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
3-bromoprop-1-enylbenzene;prop-1-ene
CID 67394567
(Z)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
CID 54603104
3-methylidenehepta-1,5-dienylbenzene
CID 90998971

Frequently Asked Questions

What is the IUPAC name of [(1E,4E)-hexa-1,4-dienyl]benzene?
The IUPAC name of [(1E,4E)-hexa-1,4-dienyl]benzene (CID 13068859) is [(1E,4E)-hexa-1,4-dienyl]benzene.
What is the SMILES notation for [(1E,4E)-hexa-1,4-dienyl]benzene?
The canonical SMILES for [(1E,4E)-hexa-1,4-dienyl]benzene is C/C=C/C/C=C/c1ccccc1.
What is the InChIKey of [(1E,4E)-hexa-1,4-dienyl]benzene?
The InChIKey is MPTNWWDJXHUNCU-SYWUFUJHSA-N. The full InChI is InChI=1S/C12H14/c1-2-3-4-6-9-12-10-7-5-8-11-12/h2-3,5-11H,4H2,1H3/b3-2+,9-6+.
What are the key properties of [(1E,4E)-hexa-1,4-dienyl]benzene?
[(1E,4E)-hexa-1,4-dienyl]benzene has a molecular weight of 158.24 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,4E)-hexa-1,4-dienyl]benzene is sourced from PubChem (CID 13068859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).