[dimethoxy(propyl)silyl]oxymethyl thiocyanate

C7H15NO3SSi — CID 144813083

IUPAC[dimethoxy(propyl)silyl]oxymethyl thiocyanate
SMILESCCC[Si](OC)(OC)OCSC#N
InChIInChI=1S/C7H15NO3SSi/c1-4-5-13(9-2,10-3)11-7-12-6-8/h4-5,7H2,1-3H3
InChIKeyAJTLPBTVEGKLPN-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.82
Rot. Bonds7

About [dimethoxy(propyl)silyl]oxymethyl thiocyanate

[dimethoxy(propyl)silyl]oxymethyl thiocyanate (PubChem CID 144813083) has the molecular formula C7H15NO3SSi and a molecular weight of 221.35 g/mol. Its IUPAC name is [dimethoxy(propyl)silyl]oxymethyl thiocyanate.

Molecular Properties

Compound Name[dimethoxy(propyl)silyl]oxymethyl thiocyanate
PubChem CID144813083
Molecular FormulaC7H15NO3SSi
Molecular Weight221.35 g/mol
Exact Mass221.05
IUPAC Name[dimethoxy(propyl)silyl]oxymethyl thiocyanate
SMILESCCC[Si](OC)(OC)OCSC#N
InChIInChI=1S/C7H15NO3SSi/c1-4-5-13(9-2,10-3)11-7-12-6-8/h4-5,7H2,1-3H3
InChIKeyAJTLPBTVEGKLPN-UHFFFAOYSA-N
XLogP1.82
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

azane;bis(trimethoxy(propyl)silane)
CID 87892957
dimethoxy-propyl-(trimethoxysilylmethoxy)silane
CID 154232847
azane;sulfane;bis(trimethoxy(propyl)silane)
CID 173220006
methoxy(trimethyl)silane;trimethoxy(propyl)silane
CID 87861927
isocyanic acid;trimethoxy(propyl)silane
CID 87261466
propan-1-ol;trimethoxy(propyl)silane
CID 87515332
propan-2-imine;trimethoxy(propyl)silane
CID 174526925
oxirane;trimethoxy(propyl)silane
CID 87981276
thiocyanic acid;triethoxy(propyl)silane
CID 172793282
3-[dimethoxy(propoxy)silyl]propyl cyanate
CID 141275499
N-[[dimethoxy(propyl)silyl]oxymethyl]-N-prop-2-enylprop-2-en-1-amine
CID 142740531
butyl(triethoxy)silane;trimethoxy(propyl)silane
CID 158050354

Frequently Asked Questions

What is the IUPAC name of [dimethoxy(propyl)silyl]oxymethyl thiocyanate?
The IUPAC name of [dimethoxy(propyl)silyl]oxymethyl thiocyanate (CID 144813083) is [dimethoxy(propyl)silyl]oxymethyl thiocyanate.
What is the SMILES notation for [dimethoxy(propyl)silyl]oxymethyl thiocyanate?
The canonical SMILES for [dimethoxy(propyl)silyl]oxymethyl thiocyanate is CCC[Si](OC)(OC)OCSC#N.
What is the InChIKey of [dimethoxy(propyl)silyl]oxymethyl thiocyanate?
The InChIKey is AJTLPBTVEGKLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3SSi/c1-4-5-13(9-2,10-3)11-7-12-6-8/h4-5,7H2,1-3H3.
What are the key properties of [dimethoxy(propyl)silyl]oxymethyl thiocyanate?
[dimethoxy(propyl)silyl]oxymethyl thiocyanate has a molecular weight of 221.35 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethoxy(propyl)silyl]oxymethyl thiocyanate is sourced from PubChem (CID 144813083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).