CID 89063411

C2H6BO3P+ — CID 89063411

IUPAC—
SMILESC[B]O[P+](=O)OC
InChIInChI=1S/C2H6BO3P/c1-3-6-7(4)5-2/h1-2H3/q+1
InChIKeyGIINDQZRRXXZDE-UHFFFAOYSA-N
MW119.85 g/mol
LogP0.97
Rot. Bonds3

About CID 89063411

CID 89063411 (PubChem CID 89063411) has the molecular formula C2H6BO3P+ and a molecular weight of 119.85 g/mol.

Molecular Properties

Compound NameCID 89063411
PubChem CID89063411
Molecular FormulaC2H6BO3P+
Molecular Weight119.85 g/mol
Exact Mass120.01
IUPAC Name—
SMILESC[B]O[P+](=O)OC
InChIInChI=1S/C2H6BO3P/c1-3-6-7(4)5-2/h1-2H3/q+1
InChIKeyGIINDQZRRXXZDE-UHFFFAOYSA-N
XLogP0.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.85
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethoxy(oxo)phosphanium;hydron
CID 174585571
formyloxy-methoxy-oxophosphanium
CID 57206869
methoxy-[[[methoxy(oxo)phosphaniumyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-oxophosphanium
CID 156665030
magnesium;ethoxy-methoxy-oxophosphanium;hydride
CID 175376011
methoxy-(1-methoxyethoxy)-oxophosphanium
CID 67892497
[diethyl-[methoxy(oxo)phosphaniumyl]oxysilyl]oxy-methoxy-oxophosphanium
CID 156665033
aluminum tris(methoxy-oxido-oxophosphanium)
CID 160728321
sodium methoxy-oxido-oxophosphanium
CID 23678289
methoxy-(2-methoxyethylperoxy)-oxophosphanium
CID 173201044
(diaminomethylideneamino)oxy-methoxy-oxophosphanium
CID 57228873
methoxy-(nitromethoxy)-oxophosphanium
CID 22982162
(cyanomethylamino)oxy-methoxy-oxophosphanium
CID 57045318

Frequently Asked Questions

What is the IUPAC name of CID 89063411?
The IUPAC name of CID 89063411 (CID 89063411) is not available.
What is the SMILES notation for CID 89063411?
The canonical SMILES for CID 89063411 is C[B]O[P+](=O)OC.
What is the InChIKey of CID 89063411?
The InChIKey is GIINDQZRRXXZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6BO3P/c1-3-6-7(4)5-2/h1-2H3/q+1.
What are the key properties of CID 89063411?
CID 89063411 has a molecular weight of 119.85 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89063411 is sourced from PubChem (CID 89063411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).