diethoxymethyl dihydrogen phosphite

C5H13O5P — CID 18623123

IUPACdiethoxymethyl dihydrogen phosphite
SMILESCCOC(OCC)OP(O)O
InChIInChI=1S/C5H13O5P/c1-3-8-5(9-4-2)10-11(6)7/h5-7H,3-4H2,1-2H3
InChIKeyQZVMRYNTDCTPRG-UHFFFAOYSA-N
MW184.13 g/mol
LogP0.57
Rot. Bonds6

About diethoxymethyl dihydrogen phosphite

diethoxymethyl dihydrogen phosphite (PubChem CID 18623123) has the molecular formula C5H13O5P and a molecular weight of 184.13 g/mol. Its IUPAC name is diethoxymethyl dihydrogen phosphite.

Molecular Properties

Compound Namediethoxymethyl dihydrogen phosphite
PubChem CID18623123
Molecular FormulaC5H13O5P
Molecular Weight184.13 g/mol
Exact Mass184.05
IUPAC Namediethoxymethyl dihydrogen phosphite
SMILESCCOC(OCC)OP(O)O
InChIInChI=1S/C5H13O5P/c1-3-8-5(9-4-2)10-11(6)7/h5-7H,3-4H2,1-2H3
InChIKeyQZVMRYNTDCTPRG-UHFFFAOYSA-N
XLogP0.57
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.13
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethoxymethyl dihydrogen phosphite?
The IUPAC name of diethoxymethyl dihydrogen phosphite (CID 18623123) is diethoxymethyl dihydrogen phosphite.
What is the SMILES notation for diethoxymethyl dihydrogen phosphite?
The canonical SMILES for diethoxymethyl dihydrogen phosphite is CCOC(OCC)OP(O)O.
What is the InChIKey of diethoxymethyl dihydrogen phosphite?
The InChIKey is QZVMRYNTDCTPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O5P/c1-3-8-5(9-4-2)10-11(6)7/h5-7H,3-4H2,1-2H3.
What are the key properties of diethoxymethyl dihydrogen phosphite?
diethoxymethyl dihydrogen phosphite has a molecular weight of 184.13 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxymethyl dihydrogen phosphite is sourced from PubChem (CID 18623123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).