[(3Z)-octa-1,3-dienyl]benzene

C14H18 — CID 154692518

IUPAC[(3Z)-octa-1,3-dienyl]benzene
SMILESCCCC/C=C\C=Cc1ccccc1
InChIInChI=1S/C14H18/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h5-13H,2-4H2,1H3/b6-5-,11-8?
InChIKeyCSKGZTSLEAMHPS-BFMSXUPBSA-N
MW186.30 g/mol
LogP4.45
Rot. Bonds5

About [(3Z)-octa-1,3-dienyl]benzene

[(3Z)-octa-1,3-dienyl]benzene (PubChem CID 154692518) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is [(3Z)-octa-1,3-dienyl]benzene.

Molecular Properties

Compound Name[(3Z)-octa-1,3-dienyl]benzene
PubChem CID154692518
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name[(3Z)-octa-1,3-dienyl]benzene
SMILESCCCC/C=C\C=Cc1ccccc1
InChIInChI=1S/C14H18/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h5-13H,2-4H2,1H3/b6-5-,11-8?
InChIKeyCSKGZTSLEAMHPS-BFMSXUPBSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

octadeca-1,3-dienylbenzene
CID 54155436
[(1E,3E)-undeca-1,3-dienyl]benzene
CID 10633133
(4E,6E)-7-phenylhepta-4,6-dien-1-ol
CID 134982496
hex-1-enylbenzene;prop-1-ene
CID 157442084
[(E)-octadec-1-enyl]benzene
CID 22722345
[(E)-3-[(2Z,4Z)-pentadeca-2,4-dienoxy]prop-1-enyl]benzene
CID 177413497
2-octa-1,3-dienylphenol
CID 54092888
5-[(1E,3E)-octa-1,3-dienyl]pyrimidine
CID 89443016
4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
3-heptadeca-1,3,5-trienylphenol
CID 175776848
[(1E,3E,9E)-10-nitrodeca-1,3,9-trienyl]benzene
CID 101044529

Frequently Asked Questions

What is the IUPAC name of [(3Z)-octa-1,3-dienyl]benzene?
The IUPAC name of [(3Z)-octa-1,3-dienyl]benzene (CID 154692518) is [(3Z)-octa-1,3-dienyl]benzene.
What is the SMILES notation for [(3Z)-octa-1,3-dienyl]benzene?
The canonical SMILES for [(3Z)-octa-1,3-dienyl]benzene is CCCC/C=C\C=Cc1ccccc1.
What is the InChIKey of [(3Z)-octa-1,3-dienyl]benzene?
The InChIKey is CSKGZTSLEAMHPS-BFMSXUPBSA-N. The full InChI is InChI=1S/C14H18/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h5-13H,2-4H2,1H3/b6-5-,11-8?.
What are the key properties of [(3Z)-octa-1,3-dienyl]benzene?
[(3Z)-octa-1,3-dienyl]benzene has a molecular weight of 186.30 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-octa-1,3-dienyl]benzene is sourced from PubChem (CID 154692518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).