[(Z)-1,2-diethoxyethenyl]phosphonic acid

C6H13O5P — CID 122657140

IUPAC[(Z)-1,2-diethoxyethenyl]phosphonic acid
SMILESCCO/C=C(/OCC)P(=O)(O)O
InChIInChI=1S/C6H13O5P/c1-3-10-5-6(11-4-2)12(7,8)9/h5H,3-4H2,1-2H3,(H2,7,8,9)/b6-5-
InChIKeyVUJHYEOWHUNWIO-WAYWQWQTSA-N
MW196.14 g/mol
LogP1.04
Rot. Bonds5

About [(Z)-1,2-diethoxyethenyl]phosphonic acid

[(Z)-1,2-diethoxyethenyl]phosphonic acid (PubChem CID 122657140) has the molecular formula C6H13O5P and a molecular weight of 196.14 g/mol. Its IUPAC name is [(Z)-1,2-diethoxyethenyl]phosphonic acid.

Molecular Properties

Compound Name[(Z)-1,2-diethoxyethenyl]phosphonic acid
PubChem CID122657140
Molecular FormulaC6H13O5P
Molecular Weight196.14 g/mol
Exact Mass196.05
IUPAC Name[(Z)-1,2-diethoxyethenyl]phosphonic acid
SMILESCCO/C=C(/OCC)P(=O)(O)O
InChIInChI=1S/C6H13O5P/c1-3-10-5-6(11-4-2)12(7,8)9/h5H,3-4H2,1-2H3,(H2,7,8,9)/b6-5-
InChIKeyVUJHYEOWHUNWIO-WAYWQWQTSA-N
XLogP1.04
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(Z)-1,2-diethoxyprop-1-ene
CID 56606177
2-dichlorophosphoryl-1-ethoxyprop-1-ene
CID 71447152
ethyl (2E)-2-(ethoxymethylidene)butanoate
CID 88955284
triethyl 4-ethoxybuta-1,3-diene-1,2,3-tricarboxylate
CID 71332704
ethyl (E)-2-(aminomethyl)-3-ethoxyprop-2-enoate
CID 142510711
diethyl 2-(aminomethylidene)propanedioate;diethyl 2-(ethoxymethylidene)propanedioate
CID 158311966
ethyl (2E)-2-(ethoxymethylidene)-3-oxopentanoate
CID 10774397
2-ethoxyprop-1-ene;phosphoric acid
CID 175275103
ethyl 2-(ethoxymethylidene)-3-methylbut-3-enoate
CID 165050811
ethyl 2-(ethoxymethylidene)-4-oxobutanoate
CID 174567833
ethyl 2-(ethoxymethylidene)-4-methylpentanoate
CID 154330552
diethyl 2-(ethoxymethylidene)pentanedioate
CID 141443037

Frequently Asked Questions

What is the IUPAC name of [(Z)-1,2-diethoxyethenyl]phosphonic acid?
The IUPAC name of [(Z)-1,2-diethoxyethenyl]phosphonic acid (CID 122657140) is [(Z)-1,2-diethoxyethenyl]phosphonic acid.
What is the SMILES notation for [(Z)-1,2-diethoxyethenyl]phosphonic acid?
The canonical SMILES for [(Z)-1,2-diethoxyethenyl]phosphonic acid is CCO/C=C(/OCC)P(=O)(O)O.
What is the InChIKey of [(Z)-1,2-diethoxyethenyl]phosphonic acid?
The InChIKey is VUJHYEOWHUNWIO-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H13O5P/c1-3-10-5-6(11-4-2)12(7,8)9/h5H,3-4H2,1-2H3,(H2,7,8,9)/b6-5-.
What are the key properties of [(Z)-1,2-diethoxyethenyl]phosphonic acid?
[(Z)-1,2-diethoxyethenyl]phosphonic acid has a molecular weight of 196.14 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1,2-diethoxyethenyl]phosphonic acid is sourced from PubChem (CID 122657140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).