phosphorous acid;triethyl phosphite

C6H21O9P3 — CID 174300225

IUPACphosphorous acid;triethyl phosphite
SMILESCCOP(OCC)OCC.OP(O)O.OP(O)O
InChIInChI=1S/C6H15O3P.2H3O3P/c1-4-7-10(8-5-2)9-6-3;2*1-4(2)3/h4-6H2,1-3H3;2*1-3H
InChIKeyCHWZRCNUCQRUCR-UHFFFAOYSA-N
MW330.15 g/mol
LogP0.70
Rot. Bonds6

About phosphorous acid;triethyl phosphite

phosphorous acid;triethyl phosphite (PubChem CID 174300225) has the molecular formula C6H21O9P3 and a molecular weight of 330.15 g/mol. Its IUPAC name is phosphorous acid;triethyl phosphite.

Molecular Properties

Compound Namephosphorous acid;triethyl phosphite
PubChem CID174300225
Molecular FormulaC6H21O9P3
Molecular Weight330.15 g/mol
Exact Mass330.04
IUPAC Namephosphorous acid;triethyl phosphite
SMILESCCOP(OCC)OCC.OP(O)O.OP(O)O
InChIInChI=1S/C6H15O3P.2H3O3P/c1-4-7-10(8-5-2)9-6-3;2*1-4(2)3/h4-6H2,1-3H3;2*1-3H
InChIKeyCHWZRCNUCQRUCR-UHFFFAOYSA-N
XLogP0.70
TPSA149.07 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.15
LogP ≤ 50.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

bromocopper;triethyl phosphite
CID 12653173
tribromoborane;triethyl phosphite
CID 11154276
diethyl hydrogen phosphite
CID 12977
ethyl dihydrogen phosphite;dihydrochloride
CID 88746637
diethyl hydrogen phosphite;mercury
CID 54602640
diethyl prop-2-ynyl phosphite
CID 23280563
diethoxy(methyl)phosphane;phosphane
CID 174821155
azane;ethyl methyl hydrogen phosphite
CID 173447260
sodium;diethoxyphosphanyl acetate;hydride
CID 174816487
ethyl dihydrogen phosphite;bis(N-ethylethanamine)
CID 172732787
ethoxy(trifluoromethyl)phosphinous acid
CID 171931307
bromoethene;diethyl hydrogen phosphite
CID 88780762

Frequently Asked Questions

What is the IUPAC name of phosphorous acid;triethyl phosphite?
The IUPAC name of phosphorous acid;triethyl phosphite (CID 174300225) is phosphorous acid;triethyl phosphite.
What is the SMILES notation for phosphorous acid;triethyl phosphite?
The canonical SMILES for phosphorous acid;triethyl phosphite is CCOP(OCC)OCC.OP(O)O.OP(O)O.
What is the InChIKey of phosphorous acid;triethyl phosphite?
The InChIKey is CHWZRCNUCQRUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O3P.2H3O3P/c1-4-7-10(8-5-2)9-6-3;2*1-4(2)3/h4-6H2,1-3H3;2*1-3H.
What are the key properties of phosphorous acid;triethyl phosphite?
phosphorous acid;triethyl phosphite has a molecular weight of 330.15 g/mol, XLogP of 0.70, 6 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for phosphorous acid;triethyl phosphite is sourced from PubChem (CID 174300225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).