diethyl hydrogen phosphite;toluene

C11H19O3P — CID 162138652

IUPACdiethyl hydrogen phosphite;toluene
SMILESCCOP(O)OCC.Cc1ccccc1
InChIInChI=1S/C7H8.C4H11O3P/c1-7-5-3-2-4-6-7;1-3-6-8(5)7-4-2/h2-6H,1H3;5H,3-4H2,1-2H3
InChIKeyZJQDGDAUFSHLOK-UHFFFAOYSA-N
MW230.24 g/mol
LogP3.27
Rot. Bonds4

About diethyl hydrogen phosphite;toluene

diethyl hydrogen phosphite;toluene (PubChem CID 162138652) has the molecular formula C11H19O3P and a molecular weight of 230.24 g/mol. Its IUPAC name is diethyl hydrogen phosphite;toluene.

Molecular Properties

Compound Namediethyl hydrogen phosphite;toluene
PubChem CID162138652
Molecular FormulaC11H19O3P
Molecular Weight230.24 g/mol
Exact Mass230.11
IUPAC Namediethyl hydrogen phosphite;toluene
SMILESCCOP(O)OCC.Cc1ccccc1
InChIInChI=1S/C7H8.C4H11O3P/c1-7-5-3-2-4-6-7;1-3-6-8(5)7-4-2/h2-6H,1H3;5H,3-4H2,1-2H3
InChIKeyZJQDGDAUFSHLOK-UHFFFAOYSA-N
XLogP3.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of diethyl hydrogen phosphite;toluene?
The IUPAC name of diethyl hydrogen phosphite;toluene (CID 162138652) is diethyl hydrogen phosphite;toluene.
What is the SMILES notation for diethyl hydrogen phosphite;toluene?
The canonical SMILES for diethyl hydrogen phosphite;toluene is CCOP(O)OCC.Cc1ccccc1.
What is the InChIKey of diethyl hydrogen phosphite;toluene?
The InChIKey is ZJQDGDAUFSHLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C4H11O3P/c1-7-5-3-2-4-6-7;1-3-6-8(5)7-4-2/h2-6H,1H3;5H,3-4H2,1-2H3.
What are the key properties of diethyl hydrogen phosphite;toluene?
diethyl hydrogen phosphite;toluene has a molecular weight of 230.24 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl hydrogen phosphite;toluene is sourced from PubChem (CID 162138652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).