3-isocyanatopropyl-methoxy-(methoxymethyl)silane

C7H15NO3Si — CID 154063322

IUPAC3-isocyanatopropyl-methoxy-(methoxymethyl)silane
SMILESCOC[SiH](CCCN=C=O)OC
InChIInChI=1S/C7H15NO3Si/c1-10-7-12(11-2)5-3-4-8-6-9/h12H,3-5,7H2,1-2H3
InChIKeyXSMSZFPYVZIOCE-UHFFFAOYSA-N
MW189.29 g/mol
LogP0.27
Rot. Bonds7

About 3-isocyanatopropyl-methoxy-(methoxymethyl)silane

3-isocyanatopropyl-methoxy-(methoxymethyl)silane (PubChem CID 154063322) has the molecular formula C7H15NO3Si and a molecular weight of 189.29 g/mol. Its IUPAC name is 3-isocyanatopropyl-methoxy-(methoxymethyl)silane.

Molecular Properties

Compound Name3-isocyanatopropyl-methoxy-(methoxymethyl)silane
PubChem CID154063322
Molecular FormulaC7H15NO3Si
Molecular Weight189.29 g/mol
Exact Mass189.08
IUPAC Name3-isocyanatopropyl-methoxy-(methoxymethyl)silane
SMILESCOC[SiH](CCCN=C=O)OC
InChIInChI=1S/C7H15NO3Si/c1-10-7-12(11-2)5-3-4-8-6-9/h12H,3-5,7H2,1-2H3
InChIKeyXSMSZFPYVZIOCE-UHFFFAOYSA-N
XLogP0.27
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.29
LogP ≤ 50.27
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 3-isocyanatopropyl-methoxy-(methoxymethyl)silane?
The IUPAC name of 3-isocyanatopropyl-methoxy-(methoxymethyl)silane (CID 154063322) is 3-isocyanatopropyl-methoxy-(methoxymethyl)silane.
What is the SMILES notation for 3-isocyanatopropyl-methoxy-(methoxymethyl)silane?
The canonical SMILES for 3-isocyanatopropyl-methoxy-(methoxymethyl)silane is COC[SiH](CCCN=C=O)OC.
What is the InChIKey of 3-isocyanatopropyl-methoxy-(methoxymethyl)silane?
The InChIKey is XSMSZFPYVZIOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3Si/c1-10-7-12(11-2)5-3-4-8-6-9/h12H,3-5,7H2,1-2H3.
What are the key properties of 3-isocyanatopropyl-methoxy-(methoxymethyl)silane?
3-isocyanatopropyl-methoxy-(methoxymethyl)silane has a molecular weight of 189.29 g/mol, XLogP of 0.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isocyanatopropyl-methoxy-(methoxymethyl)silane is sourced from PubChem (CID 154063322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).