8-phenyl-4-[(E)-prop-1-enyl]-6-oxabicyclo[3.2.2]nona-2,8-diene

C17H18O — CID 102168243

IUPAC8-phenyl-4-[(E)-prop-1-enyl]-6-oxabicyclo[3.2.2]nona-2,8-diene
SMILESC/C=C/C1C=CC2COC1C=C2c1ccccc1
InChIInChI=1S/C17H18O/c1-2-6-14-9-10-15-12-18-17(14)11-16(15)13-7-4-3-5-8-13/h2-11,14-15,17H,12H2,1H3/b6-2+
InChIKeyWFDMIVRAAXKKAD-QHHAFSJGSA-N
MW238.33 g/mol
LogP3.85
Rot. Bonds2

About 8-phenyl-4-[(E)-prop-1-enyl]-6-oxabicyclo[3.2.2]nona-2,8-diene

8-phenyl-4-[(E)-prop-1-enyl]-6-oxabicyclo[3.2.2]nona-2,8-diene (PubChem CID 102168243) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 8-phenyl-4-[(E)-prop-1-enyl]-6-oxabicyclo[3.2.2]nona-2,8-diene.

Molecular Properties

Compound Name8-phenyl-4-[(E)-prop-1-enyl]-6-oxabicyclo[3.2.2]nona-2,8-diene
PubChem CID102168243
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name8-phenyl-4-[(E)-prop-1-enyl]-6-oxabicyclo[3.2.2]nona-2,8-diene
SMILESC/C=C/C1C=CC2COC1C=C2c1ccccc1
InChIInChI=1S/C17H18O/c1-2-6-14-9-10-15-12-18-17(14)11-16(15)13-7-4-3-5-8-13/h2-11,14-15,17H,12H2,1H3/b6-2+
InChIKeyWFDMIVRAAXKKAD-QHHAFSJGSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 8-phenyl-4-[(E)-prop-1-enyl]-6-oxabicyclo[3.2.2]nona-2,8-diene?
The IUPAC name of 8-phenyl-4-[(E)-prop-1-enyl]-6-oxabicyclo[3.2.2]nona-2,8-diene (CID 102168243) is 8-phenyl-4-[(E)-prop-1-enyl]-6-oxabicyclo[3.2.2]nona-2,8-diene.
What is the SMILES notation for 8-phenyl-4-[(E)-prop-1-enyl]-6-oxabicyclo[3.2.2]nona-2,8-diene?
The canonical SMILES for 8-phenyl-4-[(E)-prop-1-enyl]-6-oxabicyclo[3.2.2]nona-2,8-diene is C/C=C/C1C=CC2COC1C=C2c1ccccc1.
What is the InChIKey of 8-phenyl-4-[(E)-prop-1-enyl]-6-oxabicyclo[3.2.2]nona-2,8-diene?
The InChIKey is WFDMIVRAAXKKAD-QHHAFSJGSA-N. The full InChI is InChI=1S/C17H18O/c1-2-6-14-9-10-15-12-18-17(14)11-16(15)13-7-4-3-5-8-13/h2-11,14-15,17H,12H2,1H3/b6-2+.
What are the key properties of 8-phenyl-4-[(E)-prop-1-enyl]-6-oxabicyclo[3.2.2]nona-2,8-diene?
8-phenyl-4-[(E)-prop-1-enyl]-6-oxabicyclo[3.2.2]nona-2,8-diene has a molecular weight of 238.33 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-4-[(E)-prop-1-enyl]-6-oxabicyclo[3.2.2]nona-2,8-diene is sourced from PubChem (CID 102168243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).