[(5E)-2-ethenyl-1-phenyl-5-propylidenecyclopent-2-en-1-yl]benzene

C22H22 — CID 144938993

IUPAC[(5E)-2-ethenyl-1-phenyl-5-propylidenecyclopent-2-en-1-yl]benzene
SMILESC=CC1=CC/C(=C\CC)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22/c1-3-11-19-17-16-18(4-2)22(19,20-12-7-5-8-13-20)21-14-9-6-10-15-21/h4-16H,2-3,17H2,1H3/b19-11+
InChIKeyBIUIPDCJDDBFLA-YBFXNURJSA-N
MW286.42 g/mol
LogP5.83
Rot. Bonds4

About [(5E)-2-ethenyl-1-phenyl-5-propylidenecyclopent-2-en-1-yl]benzene

[(5E)-2-ethenyl-1-phenyl-5-propylidenecyclopent-2-en-1-yl]benzene (PubChem CID 144938993) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is [(5E)-2-ethenyl-1-phenyl-5-propylidenecyclopent-2-en-1-yl]benzene.

Molecular Properties

Compound Name[(5E)-2-ethenyl-1-phenyl-5-propylidenecyclopent-2-en-1-yl]benzene
PubChem CID144938993
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name[(5E)-2-ethenyl-1-phenyl-5-propylidenecyclopent-2-en-1-yl]benzene
SMILESC=CC1=CC/C(=C\CC)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22/c1-3-11-19-17-16-18(4-2)22(19,20-12-7-5-8-13-20)21-14-9-6-10-15-21/h4-16H,2-3,17H2,1H3/b19-11+
InChIKeyBIUIPDCJDDBFLA-YBFXNURJSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9,9-diphenylfluorene;propane
CID 158205050
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
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CID 122395889
2-[2-(4-ethenylphenyl)ethyl]-2-phenyloxirane
CID 20710247
(2-ethyl-1-prop-1-en-2-ylcyclopropyl)benzene
CID 143150696
2-ethenyl-3-methyl-1,1-diphenylindene
CID 142104314
9-(4-ethoxyphenyl)-9-phenylfluorene
CID 135250989
trimethyl-[(2S)-2-phenyloxiran-2-yl]silane
CID 135037115
9-(4-ethylphenyl)-9-phenylfluorene
CID 149284542
carbonic acid;styrene;triethyl(methyl)azanium
CID 174590917
1-ethenyl-2-methylbenzene;2-methyl-2-phenyloxirane
CID 178075043
(2,2-dimethyl-3-propylidenecyclobutyl)methoxymethylbenzene
CID 161112347

Frequently Asked Questions

What is the IUPAC name of [(5E)-2-ethenyl-1-phenyl-5-propylidenecyclopent-2-en-1-yl]benzene?
The IUPAC name of [(5E)-2-ethenyl-1-phenyl-5-propylidenecyclopent-2-en-1-yl]benzene (CID 144938993) is [(5E)-2-ethenyl-1-phenyl-5-propylidenecyclopent-2-en-1-yl]benzene.
What is the SMILES notation for [(5E)-2-ethenyl-1-phenyl-5-propylidenecyclopent-2-en-1-yl]benzene?
The canonical SMILES for [(5E)-2-ethenyl-1-phenyl-5-propylidenecyclopent-2-en-1-yl]benzene is C=CC1=CC/C(=C\CC)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of [(5E)-2-ethenyl-1-phenyl-5-propylidenecyclopent-2-en-1-yl]benzene?
The InChIKey is BIUIPDCJDDBFLA-YBFXNURJSA-N. The full InChI is InChI=1S/C22H22/c1-3-11-19-17-16-18(4-2)22(19,20-12-7-5-8-13-20)21-14-9-6-10-15-21/h4-16H,2-3,17H2,1H3/b19-11+.
What are the key properties of [(5E)-2-ethenyl-1-phenyl-5-propylidenecyclopent-2-en-1-yl]benzene?
[(5E)-2-ethenyl-1-phenyl-5-propylidenecyclopent-2-en-1-yl]benzene has a molecular weight of 286.42 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(5E)-2-ethenyl-1-phenyl-5-propylidenecyclopent-2-en-1-yl]benzene is sourced from PubChem (CID 144938993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).