cyclohexyloxy-oxo-prop-1-enylphosphanium

C9H16O2P+ — CID 66796540

IUPACcyclohexyloxy-oxo-prop-1-enylphosphanium
SMILESCC=C[P+](=O)OC1CCCCC1
InChIInChI=1S/C9H16O2P/c1-2-8-12(10)11-9-6-4-3-5-7-9/h2,8-9H,3-7H2,1H3/q+1
InChIKeyRMSNDFGBZCUMCB-UHFFFAOYSA-N
MW187.20 g/mol
LogP3.61
Rot. Bonds3

About cyclohexyloxy-oxo-prop-1-enylphosphanium

cyclohexyloxy-oxo-prop-1-enylphosphanium (PubChem CID 66796540) has the molecular formula C9H16O2P+ and a molecular weight of 187.20 g/mol. Its IUPAC name is cyclohexyloxy-oxo-prop-1-enylphosphanium.

Molecular Properties

Compound Namecyclohexyloxy-oxo-prop-1-enylphosphanium
PubChem CID66796540
Molecular FormulaC9H16O2P+
Molecular Weight187.20 g/mol
Exact Mass187.09
IUPAC Namecyclohexyloxy-oxo-prop-1-enylphosphanium
SMILESCC=C[P+](=O)OC1CCCCC1
InChIInChI=1S/C9H16O2P/c1-2-8-12(10)11-9-6-4-3-5-7-9/h2,8-9H,3-7H2,1H3/q+1
InChIKeyRMSNDFGBZCUMCB-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyloxy-oxo-prop-1-enylphosphanium?
The IUPAC name of cyclohexyloxy-oxo-prop-1-enylphosphanium (CID 66796540) is cyclohexyloxy-oxo-prop-1-enylphosphanium.
What is the SMILES notation for cyclohexyloxy-oxo-prop-1-enylphosphanium?
The canonical SMILES for cyclohexyloxy-oxo-prop-1-enylphosphanium is CC=C[P+](=O)OC1CCCCC1.
What is the InChIKey of cyclohexyloxy-oxo-prop-1-enylphosphanium?
The InChIKey is RMSNDFGBZCUMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2P/c1-2-8-12(10)11-9-6-4-3-5-7-9/h2,8-9H,3-7H2,1H3/q+1.
What are the key properties of cyclohexyloxy-oxo-prop-1-enylphosphanium?
cyclohexyloxy-oxo-prop-1-enylphosphanium has a molecular weight of 187.20 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyloxy-oxo-prop-1-enylphosphanium is sourced from PubChem (CID 66796540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).