(5,6-dimethylidene-10-phenyldeca-3,7-diynyl)benzene

C24H22 — CID 154721237

IUPAC(5,6-dimethylidene-10-phenyldeca-3,7-diynyl)benzene
SMILESC=C(C#CCCc1ccccc1)C(=C)C#CCCc1ccccc1
InChIInChI=1S/C24H22/c1-21(13-9-11-19-23-15-5-3-6-16-23)22(2)14-10-12-20-24-17-7-4-8-18-24/h3-8,15-18H,1-2,11-12,19-20H2
InChIKeyZQLUBBWVVJBWFW-UHFFFAOYSA-N
MW310.44 g/mol
LogP5.37
Rot. Bonds5

About (5,6-dimethylidene-10-phenyldeca-3,7-diynyl)benzene

(5,6-dimethylidene-10-phenyldeca-3,7-diynyl)benzene (PubChem CID 154721237) has the molecular formula C24H22 and a molecular weight of 310.44 g/mol. Its IUPAC name is (5,6-dimethylidene-10-phenyldeca-3,7-diynyl)benzene.

Molecular Properties

Compound Name(5,6-dimethylidene-10-phenyldeca-3,7-diynyl)benzene
PubChem CID154721237
Molecular FormulaC24H22
Molecular Weight310.44 g/mol
Exact Mass310.17
IUPAC Name(5,6-dimethylidene-10-phenyldeca-3,7-diynyl)benzene
SMILESC=C(C#CCCc1ccccc1)C(=C)C#CCCc1ccccc1
InChIInChI=1S/C24H22/c1-21(13-9-11-19-23-15-5-3-6-16-23)22(2)14-10-12-20-24-17-7-4-8-18-24/h3-8,15-18H,1-2,11-12,19-20H2
InChIKeyZQLUBBWVVJBWFW-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5,6-dimethylidene-10-phenyldeca-3,7-diynyl)benzene?
The IUPAC name of (5,6-dimethylidene-10-phenyldeca-3,7-diynyl)benzene (CID 154721237) is (5,6-dimethylidene-10-phenyldeca-3,7-diynyl)benzene.
What is the SMILES notation for (5,6-dimethylidene-10-phenyldeca-3,7-diynyl)benzene?
The canonical SMILES for (5,6-dimethylidene-10-phenyldeca-3,7-diynyl)benzene is C=C(C#CCCc1ccccc1)C(=C)C#CCCc1ccccc1.
What is the InChIKey of (5,6-dimethylidene-10-phenyldeca-3,7-diynyl)benzene?
The InChIKey is ZQLUBBWVVJBWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22/c1-21(13-9-11-19-23-15-5-3-6-16-23)22(2)14-10-12-20-24-17-7-4-8-18-24/h3-8,15-18H,1-2,11-12,19-20H2.
What are the key properties of (5,6-dimethylidene-10-phenyldeca-3,7-diynyl)benzene?
(5,6-dimethylidene-10-phenyldeca-3,7-diynyl)benzene has a molecular weight of 310.44 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethylidene-10-phenyldeca-3,7-diynyl)benzene is sourced from PubChem (CID 154721237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).