3-di(propan-2-yloxy)phosphoryloxyprop-1-enylideneazanide

C9H17NO4P- — CID 140696375

IUPAC3-di(propan-2-yloxy)phosphoryloxyprop-1-enylideneazanide
SMILESCC(C)OP(=O)(OCC=C=[N-])OC(C)C
InChIInChI=1S/C9H17NO4P/c1-8(2)13-15(11,14-9(3)4)12-7-5-6-10/h5,8-9H,7H2,1-4H3/q-1
InChIKeyKUCMKOFFRHMVAA-UHFFFAOYSA-N
MW234.21 g/mol
LogP2.76
Rot. Bonds7

About 3-di(propan-2-yloxy)phosphoryloxyprop-1-enylideneazanide

3-di(propan-2-yloxy)phosphoryloxyprop-1-enylideneazanide (PubChem CID 140696375) has the molecular formula C9H17NO4P- and a molecular weight of 234.21 g/mol. Its IUPAC name is 3-di(propan-2-yloxy)phosphoryloxyprop-1-enylideneazanide.

Molecular Properties

Compound Name3-di(propan-2-yloxy)phosphoryloxyprop-1-enylideneazanide
PubChem CID140696375
Molecular FormulaC9H17NO4P-
Molecular Weight234.21 g/mol
Exact Mass234.09
IUPAC Name3-di(propan-2-yloxy)phosphoryloxyprop-1-enylideneazanide
SMILESCC(C)OP(=O)(OCC=C=[N-])OC(C)C
InChIInChI=1S/C9H17NO4P/c1-8(2)13-15(11,14-9(3)4)12-7-5-6-10/h5,8-9H,7H2,1-4H3/q-1
InChIKeyKUCMKOFFRHMVAA-UHFFFAOYSA-N
XLogP2.76
TPSA67.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-methylpropyl dipropan-2-yl phosphate
CID 10728615
iodomethyl dipropan-2-yl phosphate
CID 150487701
propan-2-yl bis(prop-2-ynyl) phosphate
CID 23470653
di(propan-2-yloxy)-prop-2-enoxy-sulfanylidene-λ5-phosphane
CID 54040298
methane;methyl dipropan-2-yl phosphate
CID 158565801
difluoro propan-2-yl phosphate
CID 87647761
butan-2-yl dipropan-2-yl phosphate
CID 71379379
2-chloroethenyl dipropan-2-yl phosphate
CID 54160652
[methoxycarbonyloxymethoxy(propan-2-yloxy)phosphoryl]oxymethyl methyl carbonate
CID 122697840
3-[butyl(pentyl)amino]propyl dipropan-2-yl phosphate
CID 171750182
azane;methyl bis(prop-2-enyl) phosphate
CID 174513624
2-dimethylphosphoryloxypropane
CID 12572720

Frequently Asked Questions

What is the IUPAC name of 3-di(propan-2-yloxy)phosphoryloxyprop-1-enylideneazanide?
The IUPAC name of 3-di(propan-2-yloxy)phosphoryloxyprop-1-enylideneazanide (CID 140696375) is 3-di(propan-2-yloxy)phosphoryloxyprop-1-enylideneazanide.
What is the SMILES notation for 3-di(propan-2-yloxy)phosphoryloxyprop-1-enylideneazanide?
The canonical SMILES for 3-di(propan-2-yloxy)phosphoryloxyprop-1-enylideneazanide is CC(C)OP(=O)(OCC=C=[N-])OC(C)C.
What is the InChIKey of 3-di(propan-2-yloxy)phosphoryloxyprop-1-enylideneazanide?
The InChIKey is KUCMKOFFRHMVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4P/c1-8(2)13-15(11,14-9(3)4)12-7-5-6-10/h5,8-9H,7H2,1-4H3/q-1.
What are the key properties of 3-di(propan-2-yloxy)phosphoryloxyprop-1-enylideneazanide?
3-di(propan-2-yloxy)phosphoryloxyprop-1-enylideneazanide has a molecular weight of 234.21 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-di(propan-2-yloxy)phosphoryloxyprop-1-enylideneazanide is sourced from PubChem (CID 140696375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).