[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene

C13H14 — CID 12628363

IUPAC[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
SMILESC=C/C=C\C(=C/C)c1ccccc1
InChIInChI=1S/C13H14/c1-3-5-9-12(4-2)13-10-7-6-8-11-13/h3-11H,1H2,2H3/b9-5-,12-4+
InChIKeyQKNBIZHZXAVVAS-WQPWRAGBSA-N
MW170.25 g/mol
LogP3.83
Rot. Bonds3

About [(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene

[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene (PubChem CID 12628363) has the molecular formula C13H14 and a molecular weight of 170.25 g/mol. Its IUPAC name is [(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene.

Molecular Properties

Compound Name[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
PubChem CID12628363
Molecular FormulaC13H14
Molecular Weight170.25 g/mol
Exact Mass170.11
IUPAC Name[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
SMILESC=C/C=C\C(=C/C)c1ccccc1
InChIInChI=1S/C13H14/c1-3-5-9-12(4-2)13-10-7-6-8-11-13/h3-11H,1H2,2H3/b9-5-,12-4+
InChIKeyQKNBIZHZXAVVAS-WQPWRAGBSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.83
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-bromo-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
CID 144639814
4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]aniline
CID 142183430
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-5-phenylbenzene
CID 143388590
N-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-4-methyl-N-(4-phenylphenyl)aniline
CID 143445033
ethane;3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridine
CID 143793777
3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-methylidene-N'-(N-methyl-C-phenylcarbonimidoyl)benzenecarboximidamide
CID 167044537
ethane;3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzoic acid;methoxyethene
CID 143785797
1-ethyl-4-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]benzene
CID 142394610
ethane;2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzaldehyde
CID 142175336
(2E)-1-phenylpenta-2,4-dien-1-one
CID 11019140
ethane;(3Z,5E)-5-phenylhepta-1,3,5-triene-2-thiol
CID 143899348
[(2Z,6Z)-4,5-dimethylidenenona-2,6,8-trien-3-yl]benzene
CID 142604894

Frequently Asked Questions

What is the IUPAC name of [(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene?
The IUPAC name of [(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene (CID 12628363) is [(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene.
What is the SMILES notation for [(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene?
The canonical SMILES for [(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene is C=C/C=C\C(=C/C)c1ccccc1.
What is the InChIKey of [(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene?
The InChIKey is QKNBIZHZXAVVAS-WQPWRAGBSA-N. The full InChI is InChI=1S/C13H14/c1-3-5-9-12(4-2)13-10-7-6-8-11-13/h3-11H,1H2,2H3/b9-5-,12-4+.
What are the key properties of [(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene?
[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene has a molecular weight of 170.25 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene is sourced from PubChem (CID 12628363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).