cyclohexyloxy-oxo-prop-2-enoxyphosphanium

C9H16O3P+ — CID 21304207

IUPACcyclohexyloxy-oxo-prop-2-enoxyphosphanium
SMILESC=CCO[P+](=O)OC1CCCCC1
InChIInChI=1S/C9H16O3P/c1-2-8-11-13(10)12-9-6-4-3-5-7-9/h2,9H,1,3-8H2/q+1
InChIKeyWJUNFWJUNLNLJU-UHFFFAOYSA-N
MW203.20 g/mol
LogP3.20
Rot. Bonds5

About cyclohexyloxy-oxo-prop-2-enoxyphosphanium

cyclohexyloxy-oxo-prop-2-enoxyphosphanium (PubChem CID 21304207) has the molecular formula C9H16O3P+ and a molecular weight of 203.20 g/mol. Its IUPAC name is cyclohexyloxy-oxo-prop-2-enoxyphosphanium.

Molecular Properties

Compound Namecyclohexyloxy-oxo-prop-2-enoxyphosphanium
PubChem CID21304207
Molecular FormulaC9H16O3P+
Molecular Weight203.20 g/mol
Exact Mass203.08
IUPAC Namecyclohexyloxy-oxo-prop-2-enoxyphosphanium
SMILESC=CCO[P+](=O)OC1CCCCC1
InChIInChI=1S/C9H16O3P/c1-2-8-11-13(10)12-9-6-4-3-5-7-9/h2,9H,1,3-8H2/q+1
InChIKeyWJUNFWJUNLNLJU-UHFFFAOYSA-N
XLogP3.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyloxy-oxo-prop-2-enoxyphosphanium?
The IUPAC name of cyclohexyloxy-oxo-prop-2-enoxyphosphanium (CID 21304207) is cyclohexyloxy-oxo-prop-2-enoxyphosphanium.
What is the SMILES notation for cyclohexyloxy-oxo-prop-2-enoxyphosphanium?
The canonical SMILES for cyclohexyloxy-oxo-prop-2-enoxyphosphanium is C=CCO[P+](=O)OC1CCCCC1.
What is the InChIKey of cyclohexyloxy-oxo-prop-2-enoxyphosphanium?
The InChIKey is WJUNFWJUNLNLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3P/c1-2-8-11-13(10)12-9-6-4-3-5-7-9/h2,9H,1,3-8H2/q+1.
What are the key properties of cyclohexyloxy-oxo-prop-2-enoxyphosphanium?
cyclohexyloxy-oxo-prop-2-enoxyphosphanium has a molecular weight of 203.20 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyloxy-oxo-prop-2-enoxyphosphanium is sourced from PubChem (CID 21304207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).