diethyl prop-2-enyl phosphate;neptunium

C7H14NpO4P- — CID 134861966

IUPACdiethyl prop-2-enyl phosphate;neptunium
SMILES[H]/[C-]=C\COP(=O)(OCC)OCC.[Np]
InChIInChI=1S/C7H14O4P.Np/c1-4-7-11-12(8,9-5-2)10-6-3;/h1,4H,5-7H2,2-3H3;/q-1;
InChIKeyDJSFTVNISGQTHM-UHFFFAOYSA-N
MW430.16 g/mol
LogP2.17
Rot. Bonds7

About diethyl prop-2-enyl phosphate;neptunium

diethyl prop-2-enyl phosphate;neptunium (PubChem CID 134861966) has the molecular formula C7H14NpO4P- and a molecular weight of 430.16 g/mol. Its IUPAC name is diethyl prop-2-enyl phosphate;neptunium.

Molecular Properties

Compound Namediethyl prop-2-enyl phosphate;neptunium
PubChem CID134861966
Molecular FormulaC7H14NpO4P-
Molecular Weight430.16 g/mol
Exact Mass429.11
IUPAC Namediethyl prop-2-enyl phosphate;neptunium
SMILES[H]/[C-]=C\COP(=O)(OCC)OCC.[Np]
InChIInChI=1S/C7H14O4P.Np/c1-4-7-11-12(8,9-5-2)10-6-3;/h1,4H,5-7H2,2-3H3;/q-1;
InChIKeyDJSFTVNISGQTHM-UHFFFAOYSA-N
XLogP2.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.16
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Triallyl phosphate
CID 15390
Diethyl allylphosphonate
CID 573014
Allyl diphosphate
CID 44363362
[(Z)-but-2-enyl] phosphono hydrogen phosphate
CID 44363535
Diallyl hydrogen phosphate
CID 545426
Diethyl isopropenyl phosphate
CID 319403
Crotyl phosphate
CID 6365393
Allyl dihydrogen phosphate
CID 14227548
Crotyl diphosphate
CID 15818139
[(Z)-but-2-enyl] dihydrogen phosphate
CID 44363368
Diethyl 2-propen-1-yl phosphate
CID 229774
Diallyl chlorophosphate
CID 4187658

Frequently Asked Questions

What is the IUPAC name of diethyl prop-2-enyl phosphate;neptunium?
The IUPAC name of diethyl prop-2-enyl phosphate;neptunium (CID 134861966) is diethyl prop-2-enyl phosphate;neptunium.
What is the SMILES notation for diethyl prop-2-enyl phosphate;neptunium?
The canonical SMILES for diethyl prop-2-enyl phosphate;neptunium is [H]/[C-]=C\COP(=O)(OCC)OCC.[Np].
What is the InChIKey of diethyl prop-2-enyl phosphate;neptunium?
The InChIKey is DJSFTVNISGQTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4P.Np/c1-4-7-11-12(8,9-5-2)10-6-3;/h1,4H,5-7H2,2-3H3;/q-1;.
What are the key properties of diethyl prop-2-enyl phosphate;neptunium?
diethyl prop-2-enyl phosphate;neptunium has a molecular weight of 430.16 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl prop-2-enyl phosphate;neptunium is sourced from PubChem (CID 134861966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).