ethenyl ethoxy hydrogen phosphite

C4H9O4P — CID 175003556

IUPACethenyl ethoxy hydrogen phosphite
SMILESC=COP(O)OOCC
InChIInChI=1S/C4H9O4P/c1-3-6-8-9(5)7-4-2/h4-5H,2-3H2,1H3
InChIKeyZJHXKXXHJKSRMJ-UHFFFAOYSA-N
MW152.09 g/mol
LogP1.33
Rot. Bonds5

About ethenyl ethoxy hydrogen phosphite

ethenyl ethoxy hydrogen phosphite (PubChem CID 175003556) has the molecular formula C4H9O4P and a molecular weight of 152.09 g/mol. Its IUPAC name is ethenyl ethoxy hydrogen phosphite.

Molecular Properties

Compound Nameethenyl ethoxy hydrogen phosphite
PubChem CID175003556
Molecular FormulaC4H9O4P
Molecular Weight152.09 g/mol
Exact Mass152.02
IUPAC Nameethenyl ethoxy hydrogen phosphite
SMILESC=COP(O)OOCC
InChIInChI=1S/C4H9O4P/c1-3-6-8-9(5)7-4-2/h4-5H,2-3H2,1H3
InChIKeyZJHXKXXHJKSRMJ-UHFFFAOYSA-N
XLogP1.33
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.09
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 prop-2-enoxy hydrogen phosphite
CID 175000913
ethoxy dihydrogen phosphite
CID 88518120
ethenyl triethoxy silicate
CID 142721539
bromoethene;diethyl hydrogen phosphite
CID 88780762
ethenyl diethoxy methyl silicate
CID 87232139
diethyl hydrogen phosphite
CID 12977
ethyl prop-2-eneperoxoate
CID 18352416
diethyl hydrogen phosphite;mercury
CID 54602640
ethoxyethane;fluoroethene
CID 87329841
sodium;ethenyl(triethoxy)silane;hydride
CID 173302645
1-ethenoxy-2-ethoxyethane
CID 14510945
ethane-1,2-diol;2-(2-ethoxyethoxy)ethanol;prop-1-ene
CID 87402389

Frequently Asked Questions

What is the IUPAC name of ethenyl ethoxy hydrogen phosphite?
The IUPAC name of ethenyl ethoxy hydrogen phosphite (CID 175003556) is ethenyl ethoxy hydrogen phosphite.
What is the SMILES notation for ethenyl ethoxy hydrogen phosphite?
The canonical SMILES for ethenyl ethoxy hydrogen phosphite is C=COP(O)OOCC.
What is the InChIKey of ethenyl ethoxy hydrogen phosphite?
The InChIKey is ZJHXKXXHJKSRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O4P/c1-3-6-8-9(5)7-4-2/h4-5H,2-3H2,1H3.
What are the key properties of ethenyl ethoxy hydrogen phosphite?
ethenyl ethoxy hydrogen phosphite has a molecular weight of 152.09 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl ethoxy hydrogen phosphite is sourced from PubChem (CID 175003556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).