sodium 2-methoxyprop-2-enyl-oxido-oxophosphanium

C4H7NaO3P+ — CID 86738483

IUPACsodium 2-methoxyprop-2-enyl-oxido-oxophosphanium
SMILESC=C(C[P+](=O)[O-])OC.[Na+]
InChIInChI=1S/C4H7O3P.Na/c1-4(7-2)3-8(5)6;/h1,3H2,2H3;/q;+1
InChIKeyKXHFQLYOBGURJN-UHFFFAOYSA-N
MW157.06 g/mol
LogP-2.75
Rot. Bonds3

About sodium 2-methoxyprop-2-enyl-oxido-oxophosphanium

sodium 2-methoxyprop-2-enyl-oxido-oxophosphanium (PubChem CID 86738483) has the molecular formula C4H7NaO3P+ and a molecular weight of 157.06 g/mol. Its IUPAC name is sodium 2-methoxyprop-2-enyl-oxido-oxophosphanium.

Molecular Properties

Compound Namesodium 2-methoxyprop-2-enyl-oxido-oxophosphanium
PubChem CID86738483
Molecular FormulaC4H7NaO3P+
Molecular Weight157.06 g/mol
Exact Mass157.00
IUPAC Namesodium 2-methoxyprop-2-enyl-oxido-oxophosphanium
SMILESC=C(C[P+](=O)[O-])OC.[Na+]
InChIInChI=1S/C4H7O3P.Na/c1-4(7-2)3-8(5)6;/h1,3H2,2H3;/q;+1
InChIKeyKXHFQLYOBGURJN-UHFFFAOYSA-N
XLogP-2.75
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.06
LogP ≤ 5-2.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium 2-methoxyprop-2-enyl-oxido-oxophosphanium?
The IUPAC name of sodium 2-methoxyprop-2-enyl-oxido-oxophosphanium (CID 86738483) is sodium 2-methoxyprop-2-enyl-oxido-oxophosphanium.
What is the SMILES notation for sodium 2-methoxyprop-2-enyl-oxido-oxophosphanium?
The canonical SMILES for sodium 2-methoxyprop-2-enyl-oxido-oxophosphanium is C=C(C[P+](=O)[O-])OC.[Na+].
What is the InChIKey of sodium 2-methoxyprop-2-enyl-oxido-oxophosphanium?
The InChIKey is KXHFQLYOBGURJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O3P.Na/c1-4(7-2)3-8(5)6;/h1,3H2,2H3;/q;+1.
What are the key properties of sodium 2-methoxyprop-2-enyl-oxido-oxophosphanium?
sodium 2-methoxyprop-2-enyl-oxido-oxophosphanium has a molecular weight of 157.06 g/mol, XLogP of -2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-methoxyprop-2-enyl-oxido-oxophosphanium is sourced from PubChem (CID 86738483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).