ethenyl prop-2-enoxy hydrogen phosphite

C5H9O4P — CID 175000913

IUPACethenyl prop-2-enoxy hydrogen phosphite
SMILESC=CCOOP(O)OC=C
InChIInChI=1S/C5H9O4P/c1-3-5-7-9-10(6)8-4-2/h3-4,6H,1-2,5H2
InChIKeyUMVVQCMXVRMUJY-UHFFFAOYSA-N
MW164.10 g/mol
LogP1.50
Rot. Bonds6

About ethenyl prop-2-enoxy hydrogen phosphite

ethenyl prop-2-enoxy hydrogen phosphite (PubChem CID 175000913) has the molecular formula C5H9O4P and a molecular weight of 164.10 g/mol. Its IUPAC name is ethenyl prop-2-enoxy hydrogen phosphite.

Molecular Properties

Compound Nameethenyl prop-2-enoxy hydrogen phosphite
PubChem CID175000913
Molecular FormulaC5H9O4P
Molecular Weight164.10 g/mol
Exact Mass164.02
IUPAC Nameethenyl prop-2-enoxy hydrogen phosphite
SMILESC=CCOOP(O)OC=C
InChIInChI=1S/C5H9O4P/c1-3-5-7-9-10(6)8-4-2/h3-4,6H,1-2,5H2
InChIKeyUMVVQCMXVRMUJY-UHFFFAOYSA-N
XLogP1.50
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.10
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

ethenyl ethoxy hydrogen phosphite
CID 175003556
bis(prop-2-enyl dihydrogen phosphite);dihydrochloride
CID 173452860
3-ethenoxyprop-1-ene;2-(2-hydroxyethoxy)ethanol
CID 86746415
2-prop-2-enylperoxyethanol
CID 59128215
2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619770
2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619769
trihydroxy(prop-2-enoxy)silane
CID 87688044
1-prop-2-enylperoxyethanol
CID 10077060
2-prop-2-enylperoxyacetic acid
CID 87501332
sodium;hydride;prop-2-enyl propyl hydrogen phosphite
CID 173408314
sodium prop-2-enoxy sulfate
CID 138633937
sodium 3-oxidooxyprop-1-ene
CID 173219790

Frequently Asked Questions

What is the IUPAC name of ethenyl prop-2-enoxy hydrogen phosphite?
The IUPAC name of ethenyl prop-2-enoxy hydrogen phosphite (CID 175000913) is ethenyl prop-2-enoxy hydrogen phosphite.
What is the SMILES notation for ethenyl prop-2-enoxy hydrogen phosphite?
The canonical SMILES for ethenyl prop-2-enoxy hydrogen phosphite is C=CCOOP(O)OC=C.
What is the InChIKey of ethenyl prop-2-enoxy hydrogen phosphite?
The InChIKey is UMVVQCMXVRMUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O4P/c1-3-5-7-9-10(6)8-4-2/h3-4,6H,1-2,5H2.
What are the key properties of ethenyl prop-2-enoxy hydrogen phosphite?
ethenyl prop-2-enoxy hydrogen phosphite has a molecular weight of 164.10 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl prop-2-enoxy hydrogen phosphite is sourced from PubChem (CID 175000913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).