triisocyanato(propan-2-yloxy)silane

C6H7N3O4Si — CID 15267713

IUPACtriisocyanato(propan-2-yloxy)silane
SMILESCC(C)O[Si](N=C=O)(N=C=O)N=C=O
InChIInChI=1S/C6H7N3O4Si/c1-6(2)13-14(7-3-10,8-4-11)9-5-12/h6H,1-2H3
InChIKeyHWNVBYIWOAVGOQ-UHFFFAOYSA-N
MW213.22 g/mol
LogP-0.15
Rot. Bonds5

About triisocyanato(propan-2-yloxy)silane

triisocyanato(propan-2-yloxy)silane (PubChem CID 15267713) has the molecular formula C6H7N3O4Si and a molecular weight of 213.22 g/mol. Its IUPAC name is triisocyanato(propan-2-yloxy)silane.

Molecular Properties

Compound Nametriisocyanato(propan-2-yloxy)silane
PubChem CID15267713
Molecular FormulaC6H7N3O4Si
Molecular Weight213.22 g/mol
Exact Mass213.02
IUPAC Nametriisocyanato(propan-2-yloxy)silane
SMILESCC(C)O[Si](N=C=O)(N=C=O)N=C=O
InChIInChI=1S/C6H7N3O4Si/c1-6(2)13-14(7-3-10,8-4-11)9-5-12/h6H,1-2H3
InChIKeyHWNVBYIWOAVGOQ-UHFFFAOYSA-N
XLogP-0.15
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 triisocyanato(propan-2-yloxy)silane?
The IUPAC name of triisocyanato(propan-2-yloxy)silane (CID 15267713) is triisocyanato(propan-2-yloxy)silane.
What is the SMILES notation for triisocyanato(propan-2-yloxy)silane?
The canonical SMILES for triisocyanato(propan-2-yloxy)silane is CC(C)O[Si](N=C=O)(N=C=O)N=C=O.
What is the InChIKey of triisocyanato(propan-2-yloxy)silane?
The InChIKey is HWNVBYIWOAVGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O4Si/c1-6(2)13-14(7-3-10,8-4-11)9-5-12/h6H,1-2H3.
What are the key properties of triisocyanato(propan-2-yloxy)silane?
triisocyanato(propan-2-yloxy)silane has a molecular weight of 213.22 g/mol, XLogP of -0.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for triisocyanato(propan-2-yloxy)silane is sourced from PubChem (CID 15267713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).