5-[[3,4-bis(ethenyl)phenyl]methyl]-6-methylbicyclo[2.2.1]hept-2-ene

C19H22 — CID 142400255

IUPAC5-[[3,4-bis(ethenyl)phenyl]methyl]-6-methylbicyclo[2.2.1]hept-2-ene
SMILESC=Cc1ccc(CC2C3C=CC(C3)C2C)cc1C=C
InChIInChI=1S/C19H22/c1-4-15-7-6-14(10-16(15)5-2)11-19-13(3)17-8-9-18(19)12-17/h4-10,13,17-19H,1-2,11-12H2,3H3
InChIKeyZBCGLWPXYZTGIC-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.97
Rot. Bonds4

About 5-[[3,4-bis(ethenyl)phenyl]methyl]-6-methylbicyclo[2.2.1]hept-2-ene

5-[[3,4-bis(ethenyl)phenyl]methyl]-6-methylbicyclo[2.2.1]hept-2-ene (PubChem CID 142400255) has the molecular formula C19H22 and a molecular weight of 250.38 g/mol. Its IUPAC name is 5-[[3,4-bis(ethenyl)phenyl]methyl]-6-methylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-[[3,4-bis(ethenyl)phenyl]methyl]-6-methylbicyclo[2.2.1]hept-2-ene
PubChem CID142400255
Molecular FormulaC19H22
Molecular Weight250.38 g/mol
Exact Mass250.17
IUPAC Name5-[[3,4-bis(ethenyl)phenyl]methyl]-6-methylbicyclo[2.2.1]hept-2-ene
SMILESC=Cc1ccc(CC2C3C=CC(C3)C2C)cc1C=C
InChIInChI=1S/C19H22/c1-4-15-7-6-14(10-16(15)5-2)11-19-13(3)17-8-9-18(19)12-17/h4-10,13,17-19H,1-2,11-12H2,3H3
InChIKeyZBCGLWPXYZTGIC-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[3,4-bis(ethenyl)phenyl]methyl]-6-methylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-[[3,4-bis(ethenyl)phenyl]methyl]-6-methylbicyclo[2.2.1]hept-2-ene (CID 142400255) is 5-[[3,4-bis(ethenyl)phenyl]methyl]-6-methylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-[[3,4-bis(ethenyl)phenyl]methyl]-6-methylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-[[3,4-bis(ethenyl)phenyl]methyl]-6-methylbicyclo[2.2.1]hept-2-ene is C=Cc1ccc(CC2C3C=CC(C3)C2C)cc1C=C.
What is the InChIKey of 5-[[3,4-bis(ethenyl)phenyl]methyl]-6-methylbicyclo[2.2.1]hept-2-ene?
The InChIKey is ZBCGLWPXYZTGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22/c1-4-15-7-6-14(10-16(15)5-2)11-19-13(3)17-8-9-18(19)12-17/h4-10,13,17-19H,1-2,11-12H2,3H3.
What are the key properties of 5-[[3,4-bis(ethenyl)phenyl]methyl]-6-methylbicyclo[2.2.1]hept-2-ene?
5-[[3,4-bis(ethenyl)phenyl]methyl]-6-methylbicyclo[2.2.1]hept-2-ene has a molecular weight of 250.38 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,4-bis(ethenyl)phenyl]methyl]-6-methylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 142400255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).