oxo-prop-2-enoxy-prop-2-enoxycarbonylphosphanium

C7H10O4P+ — CID 87074725

IUPACoxo-prop-2-enoxy-prop-2-enoxycarbonylphosphanium
SMILESC=CCOC(=O)[P+](=O)OCC=C
InChIInChI=1S/C7H10O4P/c1-3-5-10-7(8)12(9)11-6-4-2/h3-4H,1-2,5-6H2/q+1
InChIKeyTWACYRZVDMNWQQ-UHFFFAOYSA-N
MW189.13 g/mol
LogP2.25
Rot. Bonds6

About oxo-prop-2-enoxy-prop-2-enoxycarbonylphosphanium

oxo-prop-2-enoxy-prop-2-enoxycarbonylphosphanium (PubChem CID 87074725) has the molecular formula C7H10O4P+ and a molecular weight of 189.13 g/mol. Its IUPAC name is oxo-prop-2-enoxy-prop-2-enoxycarbonylphosphanium.

Molecular Properties

Compound Nameoxo-prop-2-enoxy-prop-2-enoxycarbonylphosphanium
PubChem CID87074725
Molecular FormulaC7H10O4P+
Molecular Weight189.13 g/mol
Exact Mass189.03
IUPAC Nameoxo-prop-2-enoxy-prop-2-enoxycarbonylphosphanium
SMILESC=CCOC(=O)[P+](=O)OCC=C
InChIInChI=1S/C7H10O4P/c1-3-5-10-7(8)12(9)11-6-4-2/h3-4H,1-2,5-6H2/q+1
InChIKeyTWACYRZVDMNWQQ-UHFFFAOYSA-N
XLogP2.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.13
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 oxo-prop-2-enoxy-prop-2-enoxycarbonylphosphanium?
The IUPAC name of oxo-prop-2-enoxy-prop-2-enoxycarbonylphosphanium (CID 87074725) is oxo-prop-2-enoxy-prop-2-enoxycarbonylphosphanium.
What is the SMILES notation for oxo-prop-2-enoxy-prop-2-enoxycarbonylphosphanium?
The canonical SMILES for oxo-prop-2-enoxy-prop-2-enoxycarbonylphosphanium is C=CCOC(=O)[P+](=O)OCC=C.
What is the InChIKey of oxo-prop-2-enoxy-prop-2-enoxycarbonylphosphanium?
The InChIKey is TWACYRZVDMNWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4P/c1-3-5-10-7(8)12(9)11-6-4-2/h3-4H,1-2,5-6H2/q+1.
What are the key properties of oxo-prop-2-enoxy-prop-2-enoxycarbonylphosphanium?
oxo-prop-2-enoxy-prop-2-enoxycarbonylphosphanium has a molecular weight of 189.13 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-prop-2-enoxy-prop-2-enoxycarbonylphosphanium is sourced from PubChem (CID 87074725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).