diethoxy(isocyanato)phosphane

C5H10NO3P — CID 12510853

IUPACdiethoxy(isocyanato)phosphane
SMILESCCOP(N=C=O)OCC
InChIInChI=1S/C5H10NO3P/c1-3-8-10(6-5-7)9-4-2/h3-4H2,1-2H3
InChIKeyMDTJDMZZWXTPHX-UHFFFAOYSA-N
MW163.11 g/mol
LogP1.62
Rot. Bonds5

About diethoxy(isocyanato)phosphane

diethoxy(isocyanato)phosphane (PubChem CID 12510853) has the molecular formula C5H10NO3P and a molecular weight of 163.11 g/mol. Its IUPAC name is diethoxy(isocyanato)phosphane.

Molecular Properties

Compound Namediethoxy(isocyanato)phosphane
PubChem CID12510853
Molecular FormulaC5H10NO3P
Molecular Weight163.11 g/mol
Exact Mass163.04
IUPAC Namediethoxy(isocyanato)phosphane
SMILESCCOP(N=C=O)OCC
InChIInChI=1S/C5H10NO3P/c1-3-8-10(6-5-7)9-4-2/h3-4H2,1-2H3
InChIKeyMDTJDMZZWXTPHX-UHFFFAOYSA-N
XLogP1.62
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.11
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

diethoxyphosphanylimino(diethoxy)phosphanium
CID 129225331
1-ethoxy-2-[2-(isocyanatomethoxy)ethoxy]ethane
CID 102218481
ethoxy(triisocyanato)silane
CID 15267710
diethoxy(methyl)phosphane;phosphane
CID 174821155
diaminophosphanylimino(oxo)methane
CID 71350775
diethyl hydrogen phosphite
CID 12977
diethoxymethyl(isocyanatomethyl)silane;silane
CID 174823634
1-ethoxy-1-isocyanatopentane
CID 155127899
diethoxymethyl(2-isocyanatoethyl)silane
CID 154128552
bromocopper;triethyl phosphite
CID 12653173
calcium ethyl phosphite
CID 22914058
isocyanatoethane;silane
CID 174792418

Frequently Asked Questions

What is the IUPAC name of diethoxy(isocyanato)phosphane?
The IUPAC name of diethoxy(isocyanato)phosphane (CID 12510853) is diethoxy(isocyanato)phosphane.
What is the SMILES notation for diethoxy(isocyanato)phosphane?
The canonical SMILES for diethoxy(isocyanato)phosphane is CCOP(N=C=O)OCC.
What is the InChIKey of diethoxy(isocyanato)phosphane?
The InChIKey is MDTJDMZZWXTPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO3P/c1-3-8-10(6-5-7)9-4-2/h3-4H2,1-2H3.
What are the key properties of diethoxy(isocyanato)phosphane?
diethoxy(isocyanato)phosphane has a molecular weight of 163.11 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy(isocyanato)phosphane is sourced from PubChem (CID 12510853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).