isocyanic acid;trimethoxy(propyl)silane

C7H17NO4Si — CID 87261466

IUPACisocyanic acid;trimethoxy(propyl)silane
SMILESCCC[Si](OC)(OC)OC.N=C=O
InChIInChI=1S/C6H16O3Si.CHNO/c1-5-6-10(7-2,8-3)9-4;2-1-3/h5-6H2,1-4H3;2H
InChIKeyVKSCZTWQDPUHIK-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.18
Rot. Bonds5

About isocyanic acid;trimethoxy(propyl)silane

isocyanic acid;trimethoxy(propyl)silane (PubChem CID 87261466) has the molecular formula C7H17NO4Si and a molecular weight of 207.30 g/mol. Its IUPAC name is isocyanic acid;trimethoxy(propyl)silane.

Molecular Properties

Compound Nameisocyanic acid;trimethoxy(propyl)silane
PubChem CID87261466
Molecular FormulaC7H17NO4Si
Molecular Weight207.30 g/mol
Exact Mass207.09
IUPAC Nameisocyanic acid;trimethoxy(propyl)silane
SMILESCCC[Si](OC)(OC)OC.N=C=O
InChIInChI=1S/C6H16O3Si.CHNO/c1-5-6-10(7-2,8-3)9-4;2-1-3/h5-6H2,1-4H3;2H
InChIKeyVKSCZTWQDPUHIK-UHFFFAOYSA-N
XLogP1.18
TPSA68.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

azane;bis(trimethoxy(propyl)silane)
CID 87892957
propan-2-imine;trimethoxy(propyl)silane
CID 174526925
azane;sulfane;bis(trimethoxy(propyl)silane)
CID 173220006
methoxy(trimethyl)silane;trimethoxy(propyl)silane
CID 87861927
propan-1-ol;trimethoxy(propyl)silane
CID 87515332
oxirane;trimethoxy(propyl)silane
CID 87981276
2-methylprop-2-enoate;trimethoxy(propyl)silane
CID 22007225
ethoxy-dimethyl-propylsilane;isocyanic acid
CID 175112717
dimethoxy-propyl-(trimethoxysilylmethoxy)silane
CID 154232847
propan-1-imine;trimethoxy(propyl)silane
CID 175151730
[dimethoxy(methyl)silyl]oxy-dimethoxy-propylsilane
CID 141248690
prop-1-en-1-ol;trimethoxy(propyl)silane
CID 174645854

Frequently Asked Questions

What is the IUPAC name of isocyanic acid;trimethoxy(propyl)silane?
The IUPAC name of isocyanic acid;trimethoxy(propyl)silane (CID 87261466) is isocyanic acid;trimethoxy(propyl)silane.
What is the SMILES notation for isocyanic acid;trimethoxy(propyl)silane?
The canonical SMILES for isocyanic acid;trimethoxy(propyl)silane is CCC[Si](OC)(OC)OC.N=C=O.
What is the InChIKey of isocyanic acid;trimethoxy(propyl)silane?
The InChIKey is VKSCZTWQDPUHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O3Si.CHNO/c1-5-6-10(7-2,8-3)9-4;2-1-3/h5-6H2,1-4H3;2H.
What are the key properties of isocyanic acid;trimethoxy(propyl)silane?
isocyanic acid;trimethoxy(propyl)silane has a molecular weight of 207.30 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;trimethoxy(propyl)silane is sourced from PubChem (CID 87261466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).