2,2-dicyclohexylethenyl(oxo)phosphanium

C14H24OP+ — CID 154178195

IUPAC2,2-dicyclohexylethenyl(oxo)phosphanium
SMILESO=[PH+]C=C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H23OP/c15-16-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h11-13H,1-10H2/p+1
InChIKeyXRXKEJZZVKVOHO-UHFFFAOYSA-O
MW239.32 g/mol
LogP5.05
Rot. Bonds3

About 2,2-dicyclohexylethenyl(oxo)phosphanium

2,2-dicyclohexylethenyl(oxo)phosphanium (PubChem CID 154178195) has the molecular formula C14H24OP+ and a molecular weight of 239.32 g/mol. Its IUPAC name is 2,2-dicyclohexylethenyl(oxo)phosphanium.

Molecular Properties

Compound Name2,2-dicyclohexylethenyl(oxo)phosphanium
PubChem CID154178195
Molecular FormulaC14H24OP+
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2,2-dicyclohexylethenyl(oxo)phosphanium
SMILESO=[PH+]C=C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H23OP/c15-16-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h11-13H,1-10H2/p+1
InChIKeyXRXKEJZZVKVOHO-UHFFFAOYSA-O
XLogP5.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.32
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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
(Z)-1,3-dicyclohexyl-3-hydroxyprop-2-en-1-one;zirconium
CID 171762262
cycloheptanecarboxylic acid;indigane
CID 173230239
cyclohexanecarboxylic acid;octahydrate
CID 175413747
cyclohexanecarboxylic acid;trihydrochloride
CID 67185988
CID 53471629
CID 53471629
cyclopentanecarboxylic acid
CID 18840
lithium;cyclooctanecarboxylic acid;hydride
CID 173424430
2-cyclododecyl-2-oxoacetic acid
CID 20976833
1-(cyclohexanecarbonyl)piperidine-4-carbaldehyde
CID 18352871

Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclohexylethenyl(oxo)phosphanium?
The IUPAC name of 2,2-dicyclohexylethenyl(oxo)phosphanium (CID 154178195) is 2,2-dicyclohexylethenyl(oxo)phosphanium.
What is the SMILES notation for 2,2-dicyclohexylethenyl(oxo)phosphanium?
The canonical SMILES for 2,2-dicyclohexylethenyl(oxo)phosphanium is O=[PH+]C=C(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2,2-dicyclohexylethenyl(oxo)phosphanium?
The InChIKey is XRXKEJZZVKVOHO-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H23OP/c15-16-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h11-13H,1-10H2/p+1.
What are the key properties of 2,2-dicyclohexylethenyl(oxo)phosphanium?
2,2-dicyclohexylethenyl(oxo)phosphanium has a molecular weight of 239.32 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclohexylethenyl(oxo)phosphanium is sourced from PubChem (CID 154178195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).