ethoxy dihydrogen phosphite

C2H7O4P — CID 88518120

IUPACethoxy dihydrogen phosphite
SMILESCCOOP(O)O
InChIInChI=1S/C2H7O4P/c1-2-5-6-7(3)4/h3-4H,2H2,1H3
InChIKeyWGUWFGHPPSKSCT-UHFFFAOYSA-N
MW126.05 g/mol
LogP0.17
Rot. Bonds3

About ethoxy dihydrogen phosphite

ethoxy dihydrogen phosphite (PubChem CID 88518120) has the molecular formula C2H7O4P and a molecular weight of 126.05 g/mol. Its IUPAC name is ethoxy dihydrogen phosphite.

Molecular Properties

Compound Nameethoxy dihydrogen phosphite
PubChem CID88518120
Molecular FormulaC2H7O4P
Molecular Weight126.05 g/mol
Exact Mass126.01
IUPAC Nameethoxy dihydrogen phosphite
SMILESCCOOP(O)O
InChIInChI=1S/C2H7O4P/c1-2-5-6-7(3)4/h3-4H,2H2,1H3
InChIKeyWGUWFGHPPSKSCT-UHFFFAOYSA-N
XLogP0.17
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.05
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethenyl ethoxy hydrogen phosphite
CID 175003556
ethyl dihydrogen phosphite;dihydrochloride
CID 88746637
diethyl hydrogen phosphite
CID 12977
phosphorous acid;triethyl phosphite
CID 174300225
diethyl hydrogen phosphite;mercury
CID 54602640
diethoxymethyl dihydrogen phosphite
CID 18623123
ethyl dihydrogen phosphite;bis(N-ethylethanamine)
CID 172732787
ethoxyperoxyethane;phosphane
CID 174988204
methanol;tetraethoxy silicate
CID 131718397
diethoxy phenyl phosphite
CID 150732863
methylperoxyethane;niobium
CID 139791519
hydroperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyethane
CID 89194899

Frequently Asked Questions

What is the IUPAC name of ethoxy dihydrogen phosphite?
The IUPAC name of ethoxy dihydrogen phosphite (CID 88518120) is ethoxy dihydrogen phosphite.
What is the SMILES notation for ethoxy dihydrogen phosphite?
The canonical SMILES for ethoxy dihydrogen phosphite is CCOOP(O)O.
What is the InChIKey of ethoxy dihydrogen phosphite?
The InChIKey is WGUWFGHPPSKSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O4P/c1-2-5-6-7(3)4/h3-4H,2H2,1H3.
What are the key properties of ethoxy dihydrogen phosphite?
ethoxy dihydrogen phosphite has a molecular weight of 126.05 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy dihydrogen phosphite is sourced from PubChem (CID 88518120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).