ethyl dihydrogen phosphite;dihydrochloride

C2H9Cl2O3P — CID 88746637

IUPACethyl dihydrogen phosphite;dihydrochloride
SMILESCCOP(O)O.Cl.Cl
InChIInChI=1S/C2H7O3P.2ClH/c1-2-5-6(3)4;;/h3-4H,2H2,1H3;2*1H
InChIKeyCTRMCCJLFOEYBN-UHFFFAOYSA-N
MW182.97 g/mol
LogP1.08
Rot. Bonds2

About ethyl dihydrogen phosphite;dihydrochloride

ethyl dihydrogen phosphite;dihydrochloride (PubChem CID 88746637) has the molecular formula C2H9Cl2O3P and a molecular weight of 182.97 g/mol. Its IUPAC name is ethyl dihydrogen phosphite;dihydrochloride.

Molecular Properties

Compound Nameethyl dihydrogen phosphite;dihydrochloride
PubChem CID88746637
Molecular FormulaC2H9Cl2O3P
Molecular Weight182.97 g/mol
Exact Mass181.97
IUPAC Nameethyl dihydrogen phosphite;dihydrochloride
SMILESCCOP(O)O.Cl.Cl
InChIInChI=1S/C2H7O3P.2ClH/c1-2-5-6(3)4;;/h3-4H,2H2,1H3;2*1H
InChIKeyCTRMCCJLFOEYBN-UHFFFAOYSA-N
XLogP1.08
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.97
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl dihydrogen phosphite;bis(N-ethylethanamine)
CID 172732787
diethyl hydrogen phosphite
CID 12977
diethyl hydrogen phosphite;mercury
CID 54602640
phosphorous acid;triethyl phosphite
CID 174300225
azane;ethyl methyl hydrogen phosphite
CID 173447260
2,2-bis(dihydroxyphosphanyloxymethyl)butyl dihydrogen phosphite
CID 21491714
ethoxy(trifluoromethyl)phosphinous acid
CID 171931307
ethoxy dihydrogen phosphite
CID 88518120
pentyl dihydrogen phosphite;zinc
CID 88839337
bromoethene;diethyl hydrogen phosphite
CID 88780762
acetic acid;diethyl hydrogen phosphite;mercury
CID 21535
diethoxymethyl(ethoxy)phosphinous acid
CID 16656278

Frequently Asked Questions

What is the IUPAC name of ethyl dihydrogen phosphite;dihydrochloride?
The IUPAC name of ethyl dihydrogen phosphite;dihydrochloride (CID 88746637) is ethyl dihydrogen phosphite;dihydrochloride.
What is the SMILES notation for ethyl dihydrogen phosphite;dihydrochloride?
The canonical SMILES for ethyl dihydrogen phosphite;dihydrochloride is CCOP(O)O.Cl.Cl.
What is the InChIKey of ethyl dihydrogen phosphite;dihydrochloride?
The InChIKey is CTRMCCJLFOEYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O3P.2ClH/c1-2-5-6(3)4;;/h3-4H,2H2,1H3;2*1H.
What are the key properties of ethyl dihydrogen phosphite;dihydrochloride?
ethyl dihydrogen phosphite;dihydrochloride has a molecular weight of 182.97 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl dihydrogen phosphite;dihydrochloride is sourced from PubChem (CID 88746637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).