3-[dimethoxy(propoxy)silyl]propyl cyanate

C9H19NO4Si — CID 141275499

IUPAC3-[dimethoxy(propoxy)silyl]propyl cyanate
SMILESCCCO[Si](CCCOC#N)(OC)OC
InChIInChI=1S/C9H19NO4Si/c1-4-6-14-15(11-2,12-3)8-5-7-13-9-10/h4-8H2,1-3H3
InChIKeyGPZSWRWHHKDCHP-UHFFFAOYSA-N
MW233.34 g/mol
LogP1.53
Rot. Bonds9

About 3-[dimethoxy(propoxy)silyl]propyl cyanate

3-[dimethoxy(propoxy)silyl]propyl cyanate (PubChem CID 141275499) has the molecular formula C9H19NO4Si and a molecular weight of 233.34 g/mol. Its IUPAC name is 3-[dimethoxy(propoxy)silyl]propyl cyanate.

Molecular Properties

Compound Name3-[dimethoxy(propoxy)silyl]propyl cyanate
PubChem CID141275499
Molecular FormulaC9H19NO4Si
Molecular Weight233.34 g/mol
Exact Mass233.11
IUPAC Name3-[dimethoxy(propoxy)silyl]propyl cyanate
SMILESCCCO[Si](CCCOC#N)(OC)OC
InChIInChI=1S/C9H19NO4Si/c1-4-6-14-15(11-2,12-3)8-5-7-13-9-10/h4-8H2,1-3H3
InChIKeyGPZSWRWHHKDCHP-UHFFFAOYSA-N
XLogP1.53
TPSA60.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 51.53
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'}

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Related Compounds

butyl-methoxy-dipropoxysilane
CID 18672915
butoxy-butyl-dimethoxysilane
CID 139714527
3-[dimethoxy(propoxy)silyl]propyl 2-methylprop-2-enoate
CID 59762876
2-triethoxysilylethyl cyanate
CID 3023809
2-bromoethoxy-dimethoxy-pentylsilane
CID 142614027
icosyl(tripropoxy)silane
CID 141079291
hexadecyl(tripropoxy)silane
CID 22228651
3-[dimethoxy(undecyl)silyl]oxypropan-1-amine
CID 156751574
4-tripropoxysilylbutan-1-amine
CID 15986561
3-tripropoxysilylpropan-1-ol
CID 19080799
dimethoxy-(4-triethoxysilylbutoxy)-(3-triethoxysilylpropyl)silane
CID 175038998
N-butyl-4-[3-(butylamino)propyl-dimethoxysilyl]oxybutan-1-amine
CID 175131776

Frequently Asked Questions

What is the IUPAC name of 3-[dimethoxy(propoxy)silyl]propyl cyanate?
The IUPAC name of 3-[dimethoxy(propoxy)silyl]propyl cyanate (CID 141275499) is 3-[dimethoxy(propoxy)silyl]propyl cyanate.
What is the SMILES notation for 3-[dimethoxy(propoxy)silyl]propyl cyanate?
The canonical SMILES for 3-[dimethoxy(propoxy)silyl]propyl cyanate is CCCO[Si](CCCOC#N)(OC)OC.
What is the InChIKey of 3-[dimethoxy(propoxy)silyl]propyl cyanate?
The InChIKey is GPZSWRWHHKDCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4Si/c1-4-6-14-15(11-2,12-3)8-5-7-13-9-10/h4-8H2,1-3H3.
What are the key properties of 3-[dimethoxy(propoxy)silyl]propyl cyanate?
3-[dimethoxy(propoxy)silyl]propyl cyanate has a molecular weight of 233.34 g/mol, XLogP of 1.53, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethoxy(propoxy)silyl]propyl cyanate is sourced from PubChem (CID 141275499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).