[(1E,3Z)-hexa-1,3,5-trienyl]benzene

C12H12 — CID 12714123

IUPAC[(1E,3Z)-hexa-1,3,5-trienyl]benzene
SMILESC=C/C=C\C=C\c1ccccc1
InChIInChI=1S/C12H12/c1-2-3-4-6-9-12-10-7-5-8-11-12/h2-11H,1H2/b4-3-,9-6+
InChIKeyPSJMEAWITNYZAF-ZNUQQGBJSA-N
MW156.23 g/mol
LogP3.44
Rot. Bonds3

About [(1E,3Z)-hexa-1,3,5-trienyl]benzene

[(1E,3Z)-hexa-1,3,5-trienyl]benzene (PubChem CID 12714123) has the molecular formula C12H12 and a molecular weight of 156.23 g/mol. Its IUPAC name is [(1E,3Z)-hexa-1,3,5-trienyl]benzene.

Molecular Properties

Compound Name[(1E,3Z)-hexa-1,3,5-trienyl]benzene
PubChem CID12714123
Molecular FormulaC12H12
Molecular Weight156.23 g/mol
Exact Mass156.09
IUPAC Name[(1E,3Z)-hexa-1,3,5-trienyl]benzene
SMILESC=C/C=C\C=C\c1ccccc1
InChIInChI=1S/C12H12/c1-2-3-4-6-9-12-10-7-5-8-11-12/h2-11H,1H2/b4-3-,9-6+
InChIKeyPSJMEAWITNYZAF-ZNUQQGBJSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 53.44
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

carbonic acid;hexa-1,3,5-trienylbenzene
CID 118450762
benzene;buta-1,3-dienylbenzene;ethene
CID 174664809
buta-1,3-dienylbenzene;tetrahydrochloride
CID 173415129
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
hexa-1,3,5-trienylbenzene;5-phenylpenta-2,4-dienoic acid
CID 87104089
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
(E)-but-2-enoic acid;hexa-1,3,5-trienylbenzene
CID 88655191
acetaldehyde;buta-1,3-dienylbenzene
CID 173416032
azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
CID 88641143
trimethyl-[(E)-3-phenylprop-2-enylidene]-lambda5-phosphane
CID 5463354
buta-1,3-dienylbenzene;2-methylprop-2-enoic acid
CID 160671566

Frequently Asked Questions

What is the IUPAC name of [(1E,3Z)-hexa-1,3,5-trienyl]benzene?
The IUPAC name of [(1E,3Z)-hexa-1,3,5-trienyl]benzene (CID 12714123) is [(1E,3Z)-hexa-1,3,5-trienyl]benzene.
What is the SMILES notation for [(1E,3Z)-hexa-1,3,5-trienyl]benzene?
The canonical SMILES for [(1E,3Z)-hexa-1,3,5-trienyl]benzene is C=C/C=C\C=C\c1ccccc1.
What is the InChIKey of [(1E,3Z)-hexa-1,3,5-trienyl]benzene?
The InChIKey is PSJMEAWITNYZAF-ZNUQQGBJSA-N. The full InChI is InChI=1S/C12H12/c1-2-3-4-6-9-12-10-7-5-8-11-12/h2-11H,1H2/b4-3-,9-6+.
What are the key properties of [(1E,3Z)-hexa-1,3,5-trienyl]benzene?
[(1E,3Z)-hexa-1,3,5-trienyl]benzene has a molecular weight of 156.23 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3Z)-hexa-1,3,5-trienyl]benzene is sourced from PubChem (CID 12714123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).