2-[isocyanato(methoxy)phosphoryl]-2-methylpropane

C6H12NO3P — CID 12691957

IUPAC2-[isocyanato(methoxy)phosphoryl]-2-methylpropane
SMILESCOP(=O)(N=C=O)C(C)(C)C
InChIInChI=1S/C6H12NO3P/c1-6(2,3)11(9,10-4)7-5-8/h1-4H3
InChIKeyMFFUNGRQOVTKQX-UHFFFAOYSA-N
MW177.14 g/mol
LogP1.96
Rot. Bonds2

About 2-[isocyanato(methoxy)phosphoryl]-2-methylpropane

2-[isocyanato(methoxy)phosphoryl]-2-methylpropane (PubChem CID 12691957) has the molecular formula C6H12NO3P and a molecular weight of 177.14 g/mol. Its IUPAC name is 2-[isocyanato(methoxy)phosphoryl]-2-methylpropane.

Molecular Properties

Compound Name2-[isocyanato(methoxy)phosphoryl]-2-methylpropane
PubChem CID12691957
Molecular FormulaC6H12NO3P
Molecular Weight177.14 g/mol
Exact Mass177.06
IUPAC Name2-[isocyanato(methoxy)phosphoryl]-2-methylpropane
SMILESCOP(=O)(N=C=O)C(C)(C)C
InChIInChI=1S/C6H12NO3P/c1-6(2,3)11(9,10-4)7-5-8/h1-4H3
InChIKeyMFFUNGRQOVTKQX-UHFFFAOYSA-N
XLogP1.96
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.14
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylbutan-2-yloxy-N-(oxomethylidene)phosphonamidic acid
CID 54058298
tert-butyl(methoxy)phosphinic acid
CID 14945264
2-[methoxy(2-methoxypropan-2-yl)phosphoryl]-2-methylpropane
CID 59893550
2-[tert-butyl(fluoro)phosphoryl]-2-methylpropane
CID 14144673
2-dimethoxyphosphoryl-2-methoxypropane
CID 15055131
[amino(chloro)phosphoryl]imino-oxomethane
CID 57351144
2-chloro-2-isocyanato-3,3-dimethylbutane
CID 134871631
methyl 2-isocyanato-2-methylpropanoate
CID 2769374
2-methyl-N-[1,3,3-tris(dimethoxyphosphoryl)propyl]propan-2-amine
CID 23727445
2-[[tert-butyl(methyl)phosphoryl]oxy-methylphosphoryl]-2-methylpropane
CID 170389690
methylimino(oxo)methane;2-methylpropan-2-ol
CID 91600333
1-isocyanato-2-methoxy-2,3,3-trimethylbutane
CID 105434796

Frequently Asked Questions

What is the IUPAC name of 2-[isocyanato(methoxy)phosphoryl]-2-methylpropane?
The IUPAC name of 2-[isocyanato(methoxy)phosphoryl]-2-methylpropane (CID 12691957) is 2-[isocyanato(methoxy)phosphoryl]-2-methylpropane.
What is the SMILES notation for 2-[isocyanato(methoxy)phosphoryl]-2-methylpropane?
The canonical SMILES for 2-[isocyanato(methoxy)phosphoryl]-2-methylpropane is COP(=O)(N=C=O)C(C)(C)C.
What is the InChIKey of 2-[isocyanato(methoxy)phosphoryl]-2-methylpropane?
The InChIKey is MFFUNGRQOVTKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO3P/c1-6(2,3)11(9,10-4)7-5-8/h1-4H3.
What are the key properties of 2-[isocyanato(methoxy)phosphoryl]-2-methylpropane?
2-[isocyanato(methoxy)phosphoryl]-2-methylpropane has a molecular weight of 177.14 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[isocyanato(methoxy)phosphoryl]-2-methylpropane is sourced from PubChem (CID 12691957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).