[(3E,5Z)-hepta-3,5-dienyl]benzene

C13H16 — CID 12021636

IUPAC[(3E,5Z)-hepta-3,5-dienyl]benzene
SMILESC/C=C\C=C\CCc1ccccc1
InChIInChI=1S/C13H16/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h2-6,8-9,11-12H,7,10H2,1H3/b3-2-,5-4+
InChIKeyZUGPCBXXCUTTSY-AWYLAFAOSA-N
MW172.27 g/mol
LogP3.75
Rot. Bonds4

About [(3E,5Z)-hepta-3,5-dienyl]benzene

[(3E,5Z)-hepta-3,5-dienyl]benzene (PubChem CID 12021636) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is [(3E,5Z)-hepta-3,5-dienyl]benzene.

Molecular Properties

Compound Name[(3E,5Z)-hepta-3,5-dienyl]benzene
PubChem CID12021636
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name[(3E,5Z)-hepta-3,5-dienyl]benzene
SMILESC/C=C\C=C\CCc1ccccc1
InChIInChI=1S/C13H16/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h2-6,8-9,11-12H,7,10H2,1H3/b3-2-,5-4+
InChIKeyZUGPCBXXCUTTSY-AWYLAFAOSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-hepta-3,5-dienyl]benzene?
The IUPAC name of [(3E,5Z)-hepta-3,5-dienyl]benzene (CID 12021636) is [(3E,5Z)-hepta-3,5-dienyl]benzene.
What is the SMILES notation for [(3E,5Z)-hepta-3,5-dienyl]benzene?
The canonical SMILES for [(3E,5Z)-hepta-3,5-dienyl]benzene is C/C=C\C=C\CCc1ccccc1.
What is the InChIKey of [(3E,5Z)-hepta-3,5-dienyl]benzene?
The InChIKey is ZUGPCBXXCUTTSY-AWYLAFAOSA-N. The full InChI is InChI=1S/C13H16/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h2-6,8-9,11-12H,7,10H2,1H3/b3-2-,5-4+.
What are the key properties of [(3E,5Z)-hepta-3,5-dienyl]benzene?
[(3E,5Z)-hepta-3,5-dienyl]benzene has a molecular weight of 172.27 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-hepta-3,5-dienyl]benzene is sourced from PubChem (CID 12021636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).