bis(2-bicyclo[2.2.1]hept-5-enyl)methanone

C15H18O — CID 548704

IUPACbis(2-bicyclo[2.2.1]hept-5-enyl)methanone
SMILESO=C(C1CC2C=CC1C2)C1CC2C=CC1C2
InChIInChI=1S/C15H18O/c16-15(13-7-9-1-3-11(13)5-9)14-8-10-2-4-12(14)6-10/h1-4,9-14H,5-8H2
InChIKeySAVWCEGGKLRHHM-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.98
Rot. Bonds2

About bis(2-bicyclo[2.2.1]hept-5-enyl)methanone

bis(2-bicyclo[2.2.1]hept-5-enyl)methanone (PubChem CID 548704) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is bis(2-bicyclo[2.2.1]hept-5-enyl)methanone.

Molecular Properties

Compound Namebis(2-bicyclo[2.2.1]hept-5-enyl)methanone
PubChem CID548704
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Namebis(2-bicyclo[2.2.1]hept-5-enyl)methanone
SMILESO=C(C1CC2C=CC1C2)C1CC2C=CC1C2
InChIInChI=1S/C15H18O/c16-15(13-7-9-1-3-11(13)5-9)14-8-10-2-4-12(14)6-10/h1-4,9-14H,5-8H2
InChIKeySAVWCEGGKLRHHM-UHFFFAOYSA-N
XLogP2.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.98
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 bis(2-bicyclo[2.2.1]hept-5-enyl)methanone?
The IUPAC name of bis(2-bicyclo[2.2.1]hept-5-enyl)methanone (CID 548704) is bis(2-bicyclo[2.2.1]hept-5-enyl)methanone.
What is the SMILES notation for bis(2-bicyclo[2.2.1]hept-5-enyl)methanone?
The canonical SMILES for bis(2-bicyclo[2.2.1]hept-5-enyl)methanone is O=C(C1CC2C=CC1C2)C1CC2C=CC1C2.
What is the InChIKey of bis(2-bicyclo[2.2.1]hept-5-enyl)methanone?
The InChIKey is SAVWCEGGKLRHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c16-15(13-7-9-1-3-11(13)5-9)14-8-10-2-4-12(14)6-10/h1-4,9-14H,5-8H2.
What are the key properties of bis(2-bicyclo[2.2.1]hept-5-enyl)methanone?
bis(2-bicyclo[2.2.1]hept-5-enyl)methanone has a molecular weight of 214.31 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-bicyclo[2.2.1]hept-5-enyl)methanone is sourced from PubChem (CID 548704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).