[(E)-hept-5-en-1,3-diynyl]benzene

C13H10 — CID 5281154

IUPAC[(E)-hept-5-en-1,3-diynyl]benzene
SMILESC/C=C/C#CC#Cc1ccccc1
InChIInChI=1S/C13H10/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h2-3,6,8-9,11-12H,1H3/b3-2+
InChIKeyOQOPFMDMSRLRRH-NSCUHMNNSA-N
MW166.22 g/mol
LogP2.62
Rot. Bonds

About [(E)-hept-5-en-1,3-diynyl]benzene

[(E)-hept-5-en-1,3-diynyl]benzene (PubChem CID 5281154) has the molecular formula C13H10 and a molecular weight of 166.22 g/mol. Its IUPAC name is [(E)-hept-5-en-1,3-diynyl]benzene.

Molecular Properties

Compound Name[(E)-hept-5-en-1,3-diynyl]benzene
PubChem CID5281154
Molecular FormulaC13H10
Molecular Weight166.22 g/mol
Exact Mass166.08
IUPAC Name[(E)-hept-5-en-1,3-diynyl]benzene
SMILESC/C=C/C#CC#Cc1ccccc1
InChIInChI=1S/C13H10/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h2-3,6,8-9,11-12H,1H3/b3-2+
InChIKeyOQOPFMDMSRLRRH-NSCUHMNNSA-N
XLogP2.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Toluene
CID 1140
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Xylene
CID 7809
P-Cymene
CID 7463
Cumene
CID 7406
Butylbenzene
CID 7705
1-Ethenyl-4-methylbenzene
CID 12161
Pentylbenzene
CID 10864

Frequently Asked Questions

What is the IUPAC name of [(E)-hept-5-en-1,3-diynyl]benzene?
The IUPAC name of [(E)-hept-5-en-1,3-diynyl]benzene (CID 5281154) is [(E)-hept-5-en-1,3-diynyl]benzene.
What is the SMILES notation for [(E)-hept-5-en-1,3-diynyl]benzene?
The canonical SMILES for [(E)-hept-5-en-1,3-diynyl]benzene is C/C=C/C#CC#Cc1ccccc1.
What is the InChIKey of [(E)-hept-5-en-1,3-diynyl]benzene?
The InChIKey is OQOPFMDMSRLRRH-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H10/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h2-3,6,8-9,11-12H,1H3/b3-2+.
What are the key properties of [(E)-hept-5-en-1,3-diynyl]benzene?
[(E)-hept-5-en-1,3-diynyl]benzene has a molecular weight of 166.22 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hept-5-en-1,3-diynyl]benzene is sourced from PubChem (CID 5281154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).