2-isocyanatoethyl-dimethyl-silyloxysilane

C5H13NO2Si2 — CID 123530793

IUPAC2-isocyanatoethyl-dimethyl-silyloxysilane
SMILESC[Si](C)(CCN=C=O)O[SiH3]
InChIInChI=1S/C5H13NO2Si2/c1-10(2,8-9)4-3-6-5-7/h3-4H2,1-2,9H3
InChIKeyRXUIMNLRHGJPEQ-UHFFFAOYSA-N
MW175.34 g/mol
LogP-0.18
Rot. Bonds4

About 2-isocyanatoethyl-dimethyl-silyloxysilane

2-isocyanatoethyl-dimethyl-silyloxysilane (PubChem CID 123530793) has the molecular formula C5H13NO2Si2 and a molecular weight of 175.34 g/mol. Its IUPAC name is 2-isocyanatoethyl-dimethyl-silyloxysilane.

Molecular Properties

Compound Name2-isocyanatoethyl-dimethyl-silyloxysilane
PubChem CID123530793
Molecular FormulaC5H13NO2Si2
Molecular Weight175.34 g/mol
Exact Mass175.05
IUPAC Name2-isocyanatoethyl-dimethyl-silyloxysilane
SMILESC[Si](C)(CCN=C=O)O[SiH3]
InChIInChI=1S/C5H13NO2Si2/c1-10(2,8-9)4-3-6-5-7/h3-4H2,1-2,9H3
InChIKeyRXUIMNLRHGJPEQ-UHFFFAOYSA-N
XLogP-0.18
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-isocyanatoethyl-dimethyl-silyloxysilane?
The IUPAC name of 2-isocyanatoethyl-dimethyl-silyloxysilane (CID 123530793) is 2-isocyanatoethyl-dimethyl-silyloxysilane.
What is the SMILES notation for 2-isocyanatoethyl-dimethyl-silyloxysilane?
The canonical SMILES for 2-isocyanatoethyl-dimethyl-silyloxysilane is C[Si](C)(CCN=C=O)O[SiH3].
What is the InChIKey of 2-isocyanatoethyl-dimethyl-silyloxysilane?
The InChIKey is RXUIMNLRHGJPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2Si2/c1-10(2,8-9)4-3-6-5-7/h3-4H2,1-2,9H3.
What are the key properties of 2-isocyanatoethyl-dimethyl-silyloxysilane?
2-isocyanatoethyl-dimethyl-silyloxysilane has a molecular weight of 175.34 g/mol, XLogP of -0.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isocyanatoethyl-dimethyl-silyloxysilane is sourced from PubChem (CID 123530793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).