cyclohexanecarbonylphosphanyl(cyclohexyl)methanone

C14H23O2P — CID 15648411

IUPACcyclohexanecarbonylphosphanyl(cyclohexyl)methanone
SMILESO=C(PC(=O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H23O2P/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h11-12,17H,1-10H2
InChIKeyKIGOGLUTHXFCHV-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.88
Rot. Bonds4

About cyclohexanecarbonylphosphanyl(cyclohexyl)methanone

cyclohexanecarbonylphosphanyl(cyclohexyl)methanone (PubChem CID 15648411) has the molecular formula C14H23O2P and a molecular weight of 254.31 g/mol. Its IUPAC name is cyclohexanecarbonylphosphanyl(cyclohexyl)methanone.

Molecular Properties

Compound Namecyclohexanecarbonylphosphanyl(cyclohexyl)methanone
PubChem CID15648411
Molecular FormulaC14H23O2P
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC Namecyclohexanecarbonylphosphanyl(cyclohexyl)methanone
SMILESO=C(PC(=O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H23O2P/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h11-12,17H,1-10H2
InChIKeyKIGOGLUTHXFCHV-UHFFFAOYSA-N
XLogP3.88
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclotetracosanecarboxylic acid
CID 176986816
cyclooctadecane-1,7,13-tricarboxylic acid
CID 10715056
cyclohexanecarboxylic acid
CID 11286469
cycloheptanecarboxylic acid;indigane
CID 173230239
dicyclohexylmethanone;formaldehyde
CID 175300134
cyclohexanecarbonyl fluoride
CID 11159344
cyclotetradecanecarboxylate
CID 140590492
CID 59303606
CID 59303606
cyclohexanecarboxylic acid;octahydrate
CID 175413747
cyclohexanecarboxylic acid;trihydrochloride
CID 67185988
CID 53471629
CID 53471629
cyclopentanecarboxylic acid
CID 18840

Frequently Asked Questions

What is the IUPAC name of cyclohexanecarbonylphosphanyl(cyclohexyl)methanone?
The IUPAC name of cyclohexanecarbonylphosphanyl(cyclohexyl)methanone (CID 15648411) is cyclohexanecarbonylphosphanyl(cyclohexyl)methanone.
What is the SMILES notation for cyclohexanecarbonylphosphanyl(cyclohexyl)methanone?
The canonical SMILES for cyclohexanecarbonylphosphanyl(cyclohexyl)methanone is O=C(PC(=O)C1CCCCC1)C1CCCCC1.
What is the InChIKey of cyclohexanecarbonylphosphanyl(cyclohexyl)methanone?
The InChIKey is KIGOGLUTHXFCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23O2P/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h11-12,17H,1-10H2.
What are the key properties of cyclohexanecarbonylphosphanyl(cyclohexyl)methanone?
cyclohexanecarbonylphosphanyl(cyclohexyl)methanone has a molecular weight of 254.31 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanecarbonylphosphanyl(cyclohexyl)methanone is sourced from PubChem (CID 15648411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).