zinc prop-2-enyl phosphate

C3H5O4PZn — CID 87515855

IUPACzinc prop-2-enyl phosphate
SMILESC=CCOP(=O)([O-])[O-].[Zn+2]
InChIInChI=1S/C3H7O4P.Zn/c1-2-3-7-8(4,5)6;/h2H,1,3H2,(H2,4,5,6);/q;+2/p-2
InChIKeyALQMRFJIURHHSL-UHFFFAOYSA-L
MW201.43 g/mol
LogP-0.98
Rot. Bonds3

About zinc prop-2-enyl phosphate

zinc prop-2-enyl phosphate (PubChem CID 87515855) has the molecular formula C3H5O4PZn and a molecular weight of 201.43 g/mol. Its IUPAC name is zinc prop-2-enyl phosphate.

Molecular Properties

Compound Namezinc prop-2-enyl phosphate
PubChem CID87515855
Molecular FormulaC3H5O4PZn
Molecular Weight201.43 g/mol
Exact Mass199.92
IUPAC Namezinc prop-2-enyl phosphate
SMILESC=CCOP(=O)([O-])[O-].[Zn+2]
InChIInChI=1S/C3H7O4P.Zn/c1-2-3-7-8(4,5)6;/h2H,1,3H2,(H2,4,5,6);/q;+2/p-2
InChIKeyALQMRFJIURHHSL-UHFFFAOYSA-L
XLogP-0.98
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.43
LogP ≤ 5-0.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

disodium;prop-2-enyl phosphate
CID 87157623
zinc [oxido(prop-2-enoxy)phosphoryl] prop-2-enyl phosphate
CID 88639643
ethenyl(prop-2-enoxy)phosphinate
CID 71349552
disodium bis(carboxy(prop-2-enoxy)phosphinate)
CID 173451662
bis(1-but-1-enylpyridin-1-ium);prop-2-enyl phosphate
CID 70631229
trisodium;hydride;phosphoric acid;prop-2-enyl dihydrogen phosphate
CID 174828958
methane;prop-2-enyl dihydrogen phosphate
CID 87755414
2-phosphonatooxyethyl phosphate
CID 22721325
prop-2-enyl 2-(trimethylazaniumyl)ethyl phosphate
CID 11535902
sodium N-[oxido(prop-2-enoxy)phosphinothioyl]acetamide
CID 23701941
N-[[bis(prop-2-enyl)amino]-prop-2-enoxyphosphoryl]-N-prop-2-enylprop-2-en-1-amine
CID 88513081
bis(oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane);titanium(4+)
CID 87309852

Frequently Asked Questions

What is the IUPAC name of zinc prop-2-enyl phosphate?
The IUPAC name of zinc prop-2-enyl phosphate (CID 87515855) is zinc prop-2-enyl phosphate.
What is the SMILES notation for zinc prop-2-enyl phosphate?
The canonical SMILES for zinc prop-2-enyl phosphate is C=CCOP(=O)([O-])[O-].[Zn+2].
What is the InChIKey of zinc prop-2-enyl phosphate?
The InChIKey is ALQMRFJIURHHSL-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H7O4P.Zn/c1-2-3-7-8(4,5)6;/h2H,1,3H2,(H2,4,5,6);/q;+2/p-2.
What are the key properties of zinc prop-2-enyl phosphate?
zinc prop-2-enyl phosphate has a molecular weight of 201.43 g/mol, XLogP of -0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc prop-2-enyl phosphate is sourced from PubChem (CID 87515855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).