2-cyclohexylethenyl-cyclohexyloxy-oxophosphanium

C14H24O2P+ — CID 66797034

IUPAC2-cyclohexylethenyl-cyclohexyloxy-oxophosphanium
SMILESO=[P+](C=CC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C14H24O2P/c15-17(16-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h11-14H,1-10H2/q+1
InChIKeyIAKYKMRLAJZHLA-UHFFFAOYSA-N
MW255.32 g/mol
LogP5.17
Rot. Bonds4

About 2-cyclohexylethenyl-cyclohexyloxy-oxophosphanium

2-cyclohexylethenyl-cyclohexyloxy-oxophosphanium (PubChem CID 66797034) has the molecular formula C14H24O2P+ and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-cyclohexylethenyl-cyclohexyloxy-oxophosphanium.

Molecular Properties

Compound Name2-cyclohexylethenyl-cyclohexyloxy-oxophosphanium
PubChem CID66797034
Molecular FormulaC14H24O2P+
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name2-cyclohexylethenyl-cyclohexyloxy-oxophosphanium
SMILESO=[P+](C=CC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C14H24O2P/c15-17(16-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h11-14H,1-10H2/q+1
InChIKeyIAKYKMRLAJZHLA-UHFFFAOYSA-N
XLogP5.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.32
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyclohexylethenyl-cyclohexyloxy-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylethenyl-cyclohexyloxy-oxophosphanium?
The IUPAC name of 2-cyclohexylethenyl-cyclohexyloxy-oxophosphanium (CID 66797034) is 2-cyclohexylethenyl-cyclohexyloxy-oxophosphanium.
What is the SMILES notation for 2-cyclohexylethenyl-cyclohexyloxy-oxophosphanium?
The canonical SMILES for 2-cyclohexylethenyl-cyclohexyloxy-oxophosphanium is O=[P+](C=CC1CCCCC1)OC1CCCCC1.
What is the InChIKey of 2-cyclohexylethenyl-cyclohexyloxy-oxophosphanium?
The InChIKey is IAKYKMRLAJZHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2P/c15-17(16-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h11-14H,1-10H2/q+1.
What are the key properties of 2-cyclohexylethenyl-cyclohexyloxy-oxophosphanium?
2-cyclohexylethenyl-cyclohexyloxy-oxophosphanium has a molecular weight of 255.32 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylethenyl-cyclohexyloxy-oxophosphanium is sourced from PubChem (CID 66797034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).