1,2-bis(2-bicyclo[2.2.1]hept-5-enyl)-2-hydroxyethanone

C16H20O2 — CID 12621061

IUPAC1,2-bis(2-bicyclo[2.2.1]hept-5-enyl)-2-hydroxyethanone
SMILESO=C(C(O)C1CC2C=CC1C2)C1CC2C=CC1C2
InChIInChI=1S/C16H20O2/c17-15(13-7-9-1-3-11(13)5-9)16(18)14-8-10-2-4-12(14)6-10/h1-4,9-15,17H,5-8H2
InChIKeyHPRMAHVBQNLTBM-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.34
Rot. Bonds3

About 1,2-bis(2-bicyclo[2.2.1]hept-5-enyl)-2-hydroxyethanone

1,2-bis(2-bicyclo[2.2.1]hept-5-enyl)-2-hydroxyethanone (PubChem CID 12621061) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1,2-bis(2-bicyclo[2.2.1]hept-5-enyl)-2-hydroxyethanone.

Molecular Properties

Compound Name1,2-bis(2-bicyclo[2.2.1]hept-5-enyl)-2-hydroxyethanone
PubChem CID12621061
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name1,2-bis(2-bicyclo[2.2.1]hept-5-enyl)-2-hydroxyethanone
SMILESO=C(C(O)C1CC2C=CC1C2)C1CC2C=CC1C2
InChIInChI=1S/C16H20O2/c17-15(13-7-9-1-3-11(13)5-9)16(18)14-8-10-2-4-12(14)6-10/h1-4,9-15,17H,5-8H2
InChIKeyHPRMAHVBQNLTBM-UHFFFAOYSA-N
XLogP2.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1,2-bis(2-bicyclo[2.2.1]hept-5-enyl)-2-hydroxyethanone?
The IUPAC name of 1,2-bis(2-bicyclo[2.2.1]hept-5-enyl)-2-hydroxyethanone (CID 12621061) is 1,2-bis(2-bicyclo[2.2.1]hept-5-enyl)-2-hydroxyethanone.
What is the SMILES notation for 1,2-bis(2-bicyclo[2.2.1]hept-5-enyl)-2-hydroxyethanone?
The canonical SMILES for 1,2-bis(2-bicyclo[2.2.1]hept-5-enyl)-2-hydroxyethanone is O=C(C(O)C1CC2C=CC1C2)C1CC2C=CC1C2.
What is the InChIKey of 1,2-bis(2-bicyclo[2.2.1]hept-5-enyl)-2-hydroxyethanone?
The InChIKey is HPRMAHVBQNLTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c17-15(13-7-9-1-3-11(13)5-9)16(18)14-8-10-2-4-12(14)6-10/h1-4,9-15,17H,5-8H2.
What are the key properties of 1,2-bis(2-bicyclo[2.2.1]hept-5-enyl)-2-hydroxyethanone?
1,2-bis(2-bicyclo[2.2.1]hept-5-enyl)-2-hydroxyethanone has a molecular weight of 244.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-bicyclo[2.2.1]hept-5-enyl)-2-hydroxyethanone is sourced from PubChem (CID 12621061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).