dimethoxy-methyl-propylsilane;isocyanic acid

C7H17NO3Si — CID 87918915

IUPACdimethoxy-methyl-propylsilane;isocyanic acid
SMILESCCC[Si](C)(OC)OC.N=C=O
InChIInChI=1S/C6H16O2Si.CHNO/c1-5-6-9(4,7-2)8-3;2-1-3/h5-6H2,1-4H3;2H
InChIKeyJGVDUAWRPJUPLC-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.66
Rot. Bonds4

About dimethoxy-methyl-propylsilane;isocyanic acid

dimethoxy-methyl-propylsilane;isocyanic acid (PubChem CID 87918915) has the molecular formula C7H17NO3Si and a molecular weight of 191.30 g/mol. Its IUPAC name is dimethoxy-methyl-propylsilane;isocyanic acid.

Molecular Properties

Compound Namedimethoxy-methyl-propylsilane;isocyanic acid
PubChem CID87918915
Molecular FormulaC7H17NO3Si
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Namedimethoxy-methyl-propylsilane;isocyanic acid
SMILESCCC[Si](C)(OC)OC.N=C=O
InChIInChI=1S/C6H16O2Si.CHNO/c1-5-6-9(4,7-2)8-3;2-1-3/h5-6H2,1-4H3;2H
InChIKeyJGVDUAWRPJUPLC-UHFFFAOYSA-N
XLogP1.66
TPSA59.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethoxy-methyl-propylsilane;isocyanic acid?
The IUPAC name of dimethoxy-methyl-propylsilane;isocyanic acid (CID 87918915) is dimethoxy-methyl-propylsilane;isocyanic acid.
What is the SMILES notation for dimethoxy-methyl-propylsilane;isocyanic acid?
The canonical SMILES for dimethoxy-methyl-propylsilane;isocyanic acid is CCC[Si](C)(OC)OC.N=C=O.
What is the InChIKey of dimethoxy-methyl-propylsilane;isocyanic acid?
The InChIKey is JGVDUAWRPJUPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O2Si.CHNO/c1-5-6-9(4,7-2)8-3;2-1-3/h5-6H2,1-4H3;2H.
What are the key properties of dimethoxy-methyl-propylsilane;isocyanic acid?
dimethoxy-methyl-propylsilane;isocyanic acid has a molecular weight of 191.30 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-methyl-propylsilane;isocyanic acid is sourced from PubChem (CID 87918915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).