(3-isocyanatophenyl)-trimethylsilane

C10H13NOSi — CID 88673321

IUPAC(3-isocyanatophenyl)-trimethylsilane
SMILESC[Si](C)(C)c1cccc(N=C=O)c1
InChIInChI=1S/C10H13NOSi/c1-13(2,3)10-6-4-5-9(7-10)11-8-12/h4-7H,1-3H3
InChIKeyUNKAYQKOLXMBKF-UHFFFAOYSA-N
MW191.31 g/mol
LogP2.20
Rot. Bonds2

About (3-isocyanatophenyl)-trimethylsilane

(3-isocyanatophenyl)-trimethylsilane (PubChem CID 88673321) has the molecular formula C10H13NOSi and a molecular weight of 191.31 g/mol. Its IUPAC name is (3-isocyanatophenyl)-trimethylsilane.

Molecular Properties

Compound Name(3-isocyanatophenyl)-trimethylsilane
PubChem CID88673321
Molecular FormulaC10H13NOSi
Molecular Weight191.31 g/mol
Exact Mass191.08
IUPAC Name(3-isocyanatophenyl)-trimethylsilane
SMILESC[Si](C)(C)c1cccc(N=C=O)c1
InChIInChI=1S/C10H13NOSi/c1-13(2,3)10-6-4-5-9(7-10)11-8-12/h4-7H,1-3H3
InChIKeyUNKAYQKOLXMBKF-UHFFFAOYSA-N
XLogP2.20
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze (3-isocyanatophenyl)-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-isocyanatophenyl)-trimethylsilane?
The IUPAC name of (3-isocyanatophenyl)-trimethylsilane (CID 88673321) is (3-isocyanatophenyl)-trimethylsilane.
What is the SMILES notation for (3-isocyanatophenyl)-trimethylsilane?
The canonical SMILES for (3-isocyanatophenyl)-trimethylsilane is C[Si](C)(C)c1cccc(N=C=O)c1.
What is the InChIKey of (3-isocyanatophenyl)-trimethylsilane?
The InChIKey is UNKAYQKOLXMBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOSi/c1-13(2,3)10-6-4-5-9(7-10)11-8-12/h4-7H,1-3H3.
What are the key properties of (3-isocyanatophenyl)-trimethylsilane?
(3-isocyanatophenyl)-trimethylsilane has a molecular weight of 191.31 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-isocyanatophenyl)-trimethylsilane is sourced from PubChem (CID 88673321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).