[hydroxy(1-hydroxyethoxy)phosphoryl] prop-2-enoate

C5H9O6P — CID 22644198

IUPAC[hydroxy(1-hydroxyethoxy)phosphoryl] prop-2-enoate
SMILESC=CC(=O)OP(=O)(O)OC(C)O
InChIInChI=1S/C5H9O6P/c1-3-5(7)11-12(8,9)10-4(2)6/h3-4,6H,1H2,2H3,(H,8,9)
InChIKeyYGRHOBNGAIAETC-UHFFFAOYSA-N
MW196.09 g/mol
LogP0.17
Rot. Bonds4

About [hydroxy(1-hydroxyethoxy)phosphoryl] prop-2-enoate

[hydroxy(1-hydroxyethoxy)phosphoryl] prop-2-enoate (PubChem CID 22644198) has the molecular formula C5H9O6P and a molecular weight of 196.09 g/mol. Its IUPAC name is [hydroxy(1-hydroxyethoxy)phosphoryl] prop-2-enoate.

Molecular Properties

Compound Name[hydroxy(1-hydroxyethoxy)phosphoryl] prop-2-enoate
PubChem CID22644198
Molecular FormulaC5H9O6P
Molecular Weight196.09 g/mol
Exact Mass196.01
IUPAC Name[hydroxy(1-hydroxyethoxy)phosphoryl] prop-2-enoate
SMILESC=CC(=O)OP(=O)(O)OC(C)O
InChIInChI=1S/C5H9O6P/c1-3-5(7)11-12(8,9)10-4(2)6/h3-4,6H,1H2,2H3,(H,8,9)
InChIKeyYGRHOBNGAIAETC-UHFFFAOYSA-N
XLogP0.17
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.09
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[propan-2-yloxy(prop-2-enoyloxy)phosphoryl] prop-2-enoate
CID 175013848
2-hydroxypropyl prop-2-enoate;phosphono prop-2-enoate
CID 174553510
[hydroxy-(4-methyl-3,5-dioxohepta-1,6-dien-4-yl)oxyphosphoryl] prop-2-enoate
CID 89183902
ethyl(prop-2-enoyloxy)phosphinic acid
CID 174324939
1-dimethylphosphoryloxyethanol
CID 90318044
methyl prop-2-enoate;phosphoric acid
CID 174689976
phosphono 2-methyl-3-prop-2-enoyloxypropanoate
CID 174544812
1-hydroxyethyl dihydrogen phosphate;urea
CID 21118622
1-dimethoxyphosphoryloxyethyl prop-2-enoate
CID 21386963
[2-methyl-1-[(2-methyl-1-prop-2-enoyloxypropyl)amino]propyl] prop-2-enoate;phosphoric acid
CID 174919478
[methyl-[(2-methylpropan-2-yl)oxy]phosphoryl] prop-2-enoate
CID 174794227
propane-1,2-diol;sulfanyl prop-2-enoate
CID 159132920

Frequently Asked Questions

What is the IUPAC name of [hydroxy(1-hydroxyethoxy)phosphoryl] prop-2-enoate?
The IUPAC name of [hydroxy(1-hydroxyethoxy)phosphoryl] prop-2-enoate (CID 22644198) is [hydroxy(1-hydroxyethoxy)phosphoryl] prop-2-enoate.
What is the SMILES notation for [hydroxy(1-hydroxyethoxy)phosphoryl] prop-2-enoate?
The canonical SMILES for [hydroxy(1-hydroxyethoxy)phosphoryl] prop-2-enoate is C=CC(=O)OP(=O)(O)OC(C)O.
What is the InChIKey of [hydroxy(1-hydroxyethoxy)phosphoryl] prop-2-enoate?
The InChIKey is YGRHOBNGAIAETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O6P/c1-3-5(7)11-12(8,9)10-4(2)6/h3-4,6H,1H2,2H3,(H,8,9).
What are the key properties of [hydroxy(1-hydroxyethoxy)phosphoryl] prop-2-enoate?
[hydroxy(1-hydroxyethoxy)phosphoryl] prop-2-enoate has a molecular weight of 196.09 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(1-hydroxyethoxy)phosphoryl] prop-2-enoate is sourced from PubChem (CID 22644198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).