azane;methyl bis(prop-2-enyl) phosphate

C7H16NO4P — CID 174513624

IUPACazane;methyl bis(prop-2-enyl) phosphate
SMILESC=CCOP(=O)(OC)OCC=C.N
InChIInChI=1S/C7H13O4P.H3N/c1-4-6-10-12(8,9-3)11-7-5-2;/h4-5H,1-2,6-7H2,3H3;1H3
InChIKeyVULOQBOFSLLHHC-UHFFFAOYSA-N
MW209.18 g/mol
LogP2.31
Rot. Bonds7

About azane;methyl bis(prop-2-enyl) phosphate

azane;methyl bis(prop-2-enyl) phosphate (PubChem CID 174513624) has the molecular formula C7H16NO4P and a molecular weight of 209.18 g/mol. Its IUPAC name is azane;methyl bis(prop-2-enyl) phosphate.

Molecular Properties

Compound Nameazane;methyl bis(prop-2-enyl) phosphate
PubChem CID174513624
Molecular FormulaC7H16NO4P
Molecular Weight209.18 g/mol
Exact Mass209.08
IUPAC Nameazane;methyl bis(prop-2-enyl) phosphate
SMILESC=CCOP(=O)(OC)OCC=C.N
InChIInChI=1S/C7H13O4P.H3N/c1-4-6-10-12(8,9-3)11-7-5-2;/h4-5H,1-2,6-7H2,3H3;1H3
InChIKeyVULOQBOFSLLHHC-UHFFFAOYSA-N
XLogP2.31
TPSA79.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-methylbut-3-yn-2-yl prop-2-enyl phosphate
CID 89235564
methoxy-bis(prop-2-enoxy)-sulfanylidene-λ5-phosphane
CID 15367276
bromo chloro prop-2-enyl phosphate
CID 174522074
disodium;prop-2-enyl phosphate
CID 87157623
methoxycarbonyl(prop-2-enoxy)phosphinic acid
CID 130449055
N-bis(prop-2-enoxy)phosphoryl-1-dimethoxyphosphorylformamide
CID 170085376
methane;prop-2-enyl dihydrogen phosphate
CID 87755414
zinc prop-2-enyl phosphate
CID 87515855
bis(prop-2-enyl) [(1S,2R,3R,4S,5R,6S)-2,3,4-tris[bis(prop-2-enoxy)phosphoryloxy]-5,6-dihydroxycyclohexyl] phosphate
CID 11735474
[carboxyoxymethoxy(methoxy)phosphoryl]oxymethyl hydrogen carbonate
CID 170246060
ethenyl(prop-2-enoxy)phosphinate
CID 71349552
bis(prop-2-enoxy)phosphoryl prop-2-enyl prop-2-enylsulfanyl phosphate
CID 88808291

Frequently Asked Questions

What is the IUPAC name of azane;methyl bis(prop-2-enyl) phosphate?
The IUPAC name of azane;methyl bis(prop-2-enyl) phosphate (CID 174513624) is azane;methyl bis(prop-2-enyl) phosphate.
What is the SMILES notation for azane;methyl bis(prop-2-enyl) phosphate?
The canonical SMILES for azane;methyl bis(prop-2-enyl) phosphate is C=CCOP(=O)(OC)OCC=C.N.
What is the InChIKey of azane;methyl bis(prop-2-enyl) phosphate?
The InChIKey is VULOQBOFSLLHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O4P.H3N/c1-4-6-10-12(8,9-3)11-7-5-2;/h4-5H,1-2,6-7H2,3H3;1H3.
What are the key properties of azane;methyl bis(prop-2-enyl) phosphate?
azane;methyl bis(prop-2-enyl) phosphate has a molecular weight of 209.18 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methyl bis(prop-2-enyl) phosphate is sourced from PubChem (CID 174513624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).