10-(2-bicyclo[2.2.1]hept-5-enyl)decan-2-one

C17H28O — CID 59748068

IUPAC10-(2-bicyclo[2.2.1]hept-5-enyl)decan-2-one
SMILESCC(=O)CCCCCCCCC1CC2C=CC1C2
InChIInChI=1S/C17H28O/c1-14(18)8-6-4-2-3-5-7-9-16-12-15-10-11-17(16)13-15/h10-11,15-17H,2-9,12-13H2,1H3
InChIKeyBQXDNEYBPZRMTH-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.91
Rot. Bonds9

About 10-(2-bicyclo[2.2.1]hept-5-enyl)decan-2-one

10-(2-bicyclo[2.2.1]hept-5-enyl)decan-2-one (PubChem CID 59748068) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 10-(2-bicyclo[2.2.1]hept-5-enyl)decan-2-one.

Molecular Properties

Compound Name10-(2-bicyclo[2.2.1]hept-5-enyl)decan-2-one
PubChem CID59748068
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name10-(2-bicyclo[2.2.1]hept-5-enyl)decan-2-one
SMILESCC(=O)CCCCCCCCC1CC2C=CC1C2
InChIInChI=1S/C17H28O/c1-14(18)8-6-4-2-3-5-7-9-16-12-15-10-11-17(16)13-15/h10-11,15-17H,2-9,12-13H2,1H3
InChIKeyBQXDNEYBPZRMTH-UHFFFAOYSA-N
XLogP4.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-(2-bicyclo[2.2.1]hept-5-enyl)decan-2-one?
The IUPAC name of 10-(2-bicyclo[2.2.1]hept-5-enyl)decan-2-one (CID 59748068) is 10-(2-bicyclo[2.2.1]hept-5-enyl)decan-2-one.
What is the SMILES notation for 10-(2-bicyclo[2.2.1]hept-5-enyl)decan-2-one?
The canonical SMILES for 10-(2-bicyclo[2.2.1]hept-5-enyl)decan-2-one is CC(=O)CCCCCCCCC1CC2C=CC1C2.
What is the InChIKey of 10-(2-bicyclo[2.2.1]hept-5-enyl)decan-2-one?
The InChIKey is BQXDNEYBPZRMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-14(18)8-6-4-2-3-5-7-9-16-12-15-10-11-17(16)13-15/h10-11,15-17H,2-9,12-13H2,1H3.
What are the key properties of 10-(2-bicyclo[2.2.1]hept-5-enyl)decan-2-one?
10-(2-bicyclo[2.2.1]hept-5-enyl)decan-2-one has a molecular weight of 248.41 g/mol, XLogP of 4.91, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-bicyclo[2.2.1]hept-5-enyl)decan-2-one is sourced from PubChem (CID 59748068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).