(1E)-1-benzylidene-3-hexylindene

C22H24 — CID 155514525

IUPAC(1E)-1-benzylidene-3-hexylindene
SMILESCCCCCCC1=C/C(=C\c2ccccc2)c2ccccc21
InChIInChI=1S/C22H24/c1-2-3-4-8-13-19-17-20(16-18-11-6-5-7-12-18)22-15-10-9-14-21(19)22/h5-7,9-12,14-17H,2-4,8,13H2,1H3/b20-16+
InChIKeySIIZYWVKPQSMGL-CAPFRKAQSA-N
MW288.43 g/mol
LogP6.59
Rot. Bonds6

About (1E)-1-benzylidene-3-hexylindene

(1E)-1-benzylidene-3-hexylindene (PubChem CID 155514525) has the molecular formula C22H24 and a molecular weight of 288.43 g/mol. Its IUPAC name is (1E)-1-benzylidene-3-hexylindene.

Molecular Properties

Compound Name(1E)-1-benzylidene-3-hexylindene
PubChem CID155514525
Molecular FormulaC22H24
Molecular Weight288.43 g/mol
Exact Mass288.19
IUPAC Name(1E)-1-benzylidene-3-hexylindene
SMILESCCCCCCC1=C/C(=C\c2ccccc2)c2ccccc21
InChIInChI=1S/C22H24/c1-2-3-4-8-13-19-17-20(16-18-11-6-5-7-12-18)22-15-10-9-14-21(19)22/h5-7,9-12,14-17H,2-4,8,13H2,1H3/b20-16+
InChIKeySIIZYWVKPQSMGL-CAPFRKAQSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-benzylidene-3-hexylindene?
The IUPAC name of (1E)-1-benzylidene-3-hexylindene (CID 155514525) is (1E)-1-benzylidene-3-hexylindene.
What is the SMILES notation for (1E)-1-benzylidene-3-hexylindene?
The canonical SMILES for (1E)-1-benzylidene-3-hexylindene is CCCCCCC1=C/C(=C\c2ccccc2)c2ccccc21.
What is the InChIKey of (1E)-1-benzylidene-3-hexylindene?
The InChIKey is SIIZYWVKPQSMGL-CAPFRKAQSA-N. The full InChI is InChI=1S/C22H24/c1-2-3-4-8-13-19-17-20(16-18-11-6-5-7-12-18)22-15-10-9-14-21(19)22/h5-7,9-12,14-17H,2-4,8,13H2,1H3/b20-16+.
What are the key properties of (1E)-1-benzylidene-3-hexylindene?
(1E)-1-benzylidene-3-hexylindene has a molecular weight of 288.43 g/mol, XLogP of 6.59, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-benzylidene-3-hexylindene is sourced from PubChem (CID 155514525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).