zinc [oxido(prop-2-enoxy)phosphoryl] prop-2-enyl phosphate

C6H10O7P2Zn — CID 88639643

IUPACzinc [oxido(prop-2-enoxy)phosphoryl] prop-2-enyl phosphate
SMILESC=CCOP(=O)([O-])OP(=O)([O-])OCC=C.[Zn+2]
InChIInChI=1S/C6H12O7P2.Zn/c1-3-5-11-14(7,8)13-15(9,10)12-6-4-2;/h3-4H,1-2,5-6H2,(H,7,8)(H,9,10);/q;+2/p-2
InChIKeyKSSSVGMLZHIMEZ-UHFFFAOYSA-L
MW321.48 g/mol
LogP0.34
Rot. Bonds8

About zinc [oxido(prop-2-enoxy)phosphoryl] prop-2-enyl phosphate

zinc [oxido(prop-2-enoxy)phosphoryl] prop-2-enyl phosphate (PubChem CID 88639643) has the molecular formula C6H10O7P2Zn and a molecular weight of 321.48 g/mol. Its IUPAC name is zinc [oxido(prop-2-enoxy)phosphoryl] prop-2-enyl phosphate.

Molecular Properties

Compound Namezinc [oxido(prop-2-enoxy)phosphoryl] prop-2-enyl phosphate
PubChem CID88639643
Molecular FormulaC6H10O7P2Zn
Molecular Weight321.48 g/mol
Exact Mass319.92
IUPAC Namezinc [oxido(prop-2-enoxy)phosphoryl] prop-2-enyl phosphate
SMILESC=CCOP(=O)([O-])OP(=O)([O-])OCC=C.[Zn+2]
InChIInChI=1S/C6H12O7P2.Zn/c1-3-5-11-14(7,8)13-15(9,10)12-6-4-2;/h3-4H,1-2,5-6H2,(H,7,8)(H,9,10);/q;+2/p-2
InChIKeyKSSSVGMLZHIMEZ-UHFFFAOYSA-L
XLogP0.34
TPSA107.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.48
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

zinc prop-2-enyl phosphate
CID 87515855
disodium;prop-2-enyl phosphate
CID 87157623
ethenyl(prop-2-enoxy)phosphinate
CID 71349552
prop-2-enyl 2-(trimethylazaniumyl)ethyl phosphate
CID 11535902
disodium bis(carboxy(prop-2-enoxy)phosphinate)
CID 173451662
methane;prop-2-enyl dihydrogen phosphate
CID 87755414
bis(prop-2-enyl) phosphate;1,3-dimethylimidazol-1-ium
CID 87765148
tetrasodium;[[[(E)-4-hydroxy-3-methylbut-2-enoxy]-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 10181081
bis(oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane);titanium(4+)
CID 87309852
azane;methyl bis(prop-2-enyl) phosphate
CID 174513624
iron(2+);oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane
CID 87288661
N-[[bis(prop-2-enyl)amino]-prop-2-enoxyphosphoryl]-N-prop-2-enylprop-2-en-1-amine
CID 88513081

Frequently Asked Questions

What is the IUPAC name of zinc [oxido(prop-2-enoxy)phosphoryl] prop-2-enyl phosphate?
The IUPAC name of zinc [oxido(prop-2-enoxy)phosphoryl] prop-2-enyl phosphate (CID 88639643) is zinc [oxido(prop-2-enoxy)phosphoryl] prop-2-enyl phosphate.
What is the SMILES notation for zinc [oxido(prop-2-enoxy)phosphoryl] prop-2-enyl phosphate?
The canonical SMILES for zinc [oxido(prop-2-enoxy)phosphoryl] prop-2-enyl phosphate is C=CCOP(=O)([O-])OP(=O)([O-])OCC=C.[Zn+2].
What is the InChIKey of zinc [oxido(prop-2-enoxy)phosphoryl] prop-2-enyl phosphate?
The InChIKey is KSSSVGMLZHIMEZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H12O7P2.Zn/c1-3-5-11-14(7,8)13-15(9,10)12-6-4-2;/h3-4H,1-2,5-6H2,(H,7,8)(H,9,10);/q;+2/p-2.
What are the key properties of zinc [oxido(prop-2-enoxy)phosphoryl] prop-2-enyl phosphate?
zinc [oxido(prop-2-enoxy)phosphoryl] prop-2-enyl phosphate has a molecular weight of 321.48 g/mol, XLogP of 0.34, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for zinc [oxido(prop-2-enoxy)phosphoryl] prop-2-enyl phosphate is sourced from PubChem (CID 88639643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).