3-[(1E,3E)-3-ethenylpenta-1,3-dienyl]-5-methyl-1H-indene

C17H18 — CID 142077031

IUPAC3-[(1E,3E)-3-ethenylpenta-1,3-dienyl]-5-methyl-1H-indene
SMILESC=CC(/C=C/C1=CCc2ccc(C)cc21)=C\C
InChIInChI=1S/C17H18/c1-4-14(5-2)7-9-16-11-10-15-8-6-13(3)12-17(15)16/h4-9,11-12H,1,10H2,2-3H3/b9-7+,14-5+
InChIKeyQLVSRTKYWLKSCW-FARFDXOQSA-N
MW222.33 g/mol
LogP4.62
Rot. Bonds3

About 3-[(1E,3E)-3-ethenylpenta-1,3-dienyl]-5-methyl-1H-indene

3-[(1E,3E)-3-ethenylpenta-1,3-dienyl]-5-methyl-1H-indene (PubChem CID 142077031) has the molecular formula C17H18 and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-[(1E,3E)-3-ethenylpenta-1,3-dienyl]-5-methyl-1H-indene.

Molecular Properties

Compound Name3-[(1E,3E)-3-ethenylpenta-1,3-dienyl]-5-methyl-1H-indene
PubChem CID142077031
Molecular FormulaC17H18
Molecular Weight222.33 g/mol
Exact Mass222.14
IUPAC Name3-[(1E,3E)-3-ethenylpenta-1,3-dienyl]-5-methyl-1H-indene
SMILESC=CC(/C=C/C1=CCc2ccc(C)cc21)=C\C
InChIInChI=1S/C17H18/c1-4-14(5-2)7-9-16-11-10-15-8-6-13(3)12-17(15)16/h4-9,11-12H,1,10H2,2-3H3/b9-7+,14-5+
InChIKeyQLVSRTKYWLKSCW-FARFDXOQSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 54.62
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 3-[(1E,3E)-3-ethenylpenta-1,3-dienyl]-5-methyl-1H-indene?
The IUPAC name of 3-[(1E,3E)-3-ethenylpenta-1,3-dienyl]-5-methyl-1H-indene (CID 142077031) is 3-[(1E,3E)-3-ethenylpenta-1,3-dienyl]-5-methyl-1H-indene.
What is the SMILES notation for 3-[(1E,3E)-3-ethenylpenta-1,3-dienyl]-5-methyl-1H-indene?
The canonical SMILES for 3-[(1E,3E)-3-ethenylpenta-1,3-dienyl]-5-methyl-1H-indene is C=CC(/C=C/C1=CCc2ccc(C)cc21)=C\C.
What is the InChIKey of 3-[(1E,3E)-3-ethenylpenta-1,3-dienyl]-5-methyl-1H-indene?
The InChIKey is QLVSRTKYWLKSCW-FARFDXOQSA-N. The full InChI is InChI=1S/C17H18/c1-4-14(5-2)7-9-16-11-10-15-8-6-13(3)12-17(15)16/h4-9,11-12H,1,10H2,2-3H3/b9-7+,14-5+.
What are the key properties of 3-[(1E,3E)-3-ethenylpenta-1,3-dienyl]-5-methyl-1H-indene?
3-[(1E,3E)-3-ethenylpenta-1,3-dienyl]-5-methyl-1H-indene has a molecular weight of 222.33 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1E,3E)-3-ethenylpenta-1,3-dienyl]-5-methyl-1H-indene is sourced from PubChem (CID 142077031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).