8-isocyanatooctyl-dimethoxy-methylsilane

C12H25NO3Si — CID 141485857

IUPAC8-isocyanatooctyl-dimethoxy-methylsilane
SMILESCO[Si](C)(CCCCCCCCN=C=O)OC
InChIInChI=1S/C12H25NO3Si/c1-15-17(3,16-2)11-9-7-5-4-6-8-10-13-12-14/h4-11H2,1-3H3
InChIKeyHDFMYKJAXKOJGK-UHFFFAOYSA-N
MW259.42 g/mol
LogP3.03
Rot. Bonds11

About 8-isocyanatooctyl-dimethoxy-methylsilane

8-isocyanatooctyl-dimethoxy-methylsilane (PubChem CID 141485857) has the molecular formula C12H25NO3Si and a molecular weight of 259.42 g/mol. Its IUPAC name is 8-isocyanatooctyl-dimethoxy-methylsilane.

Molecular Properties

Compound Name8-isocyanatooctyl-dimethoxy-methylsilane
PubChem CID141485857
Molecular FormulaC12H25NO3Si
Molecular Weight259.42 g/mol
Exact Mass259.16
IUPAC Name8-isocyanatooctyl-dimethoxy-methylsilane
SMILESCO[Si](C)(CCCCCCCCN=C=O)OC
InChIInChI=1S/C12H25NO3Si/c1-15-17(3,16-2)11-9-7-5-4-6-8-10-13-12-14/h4-11H2,1-3H3
InChIKeyHDFMYKJAXKOJGK-UHFFFAOYSA-N
XLogP3.03
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 8-isocyanatooctyl-dimethoxy-methylsilane?
The IUPAC name of 8-isocyanatooctyl-dimethoxy-methylsilane (CID 141485857) is 8-isocyanatooctyl-dimethoxy-methylsilane.
What is the SMILES notation for 8-isocyanatooctyl-dimethoxy-methylsilane?
The canonical SMILES for 8-isocyanatooctyl-dimethoxy-methylsilane is CO[Si](C)(CCCCCCCCN=C=O)OC.
What is the InChIKey of 8-isocyanatooctyl-dimethoxy-methylsilane?
The InChIKey is HDFMYKJAXKOJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3Si/c1-15-17(3,16-2)11-9-7-5-4-6-8-10-13-12-14/h4-11H2,1-3H3.
What are the key properties of 8-isocyanatooctyl-dimethoxy-methylsilane?
8-isocyanatooctyl-dimethoxy-methylsilane has a molecular weight of 259.42 g/mol, XLogP of 3.03, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-isocyanatooctyl-dimethoxy-methylsilane is sourced from PubChem (CID 141485857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).