iodo-tris[(2-methylpropan-2-yl)oxy]silane

C12H27IO3Si — CID 139636399

IUPACiodo-tris[(2-methylpropan-2-yl)oxy]silane
SMILESCC(C)(C)O[Si](I)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C12H27IO3Si/c1-10(2,3)14-17(13,15-11(4,5)6)16-12(7,8)9/h1-9H3
InChIKeyYDKHFKNECFWBRL-UHFFFAOYSA-N
MW374.34 g/mol
LogP4.30
Rot. Bonds3

About iodo-tris[(2-methylpropan-2-yl)oxy]silane

iodo-tris[(2-methylpropan-2-yl)oxy]silane (PubChem CID 139636399) has the molecular formula C12H27IO3Si and a molecular weight of 374.34 g/mol. Its IUPAC name is iodo-tris[(2-methylpropan-2-yl)oxy]silane.

Molecular Properties

Compound Nameiodo-tris[(2-methylpropan-2-yl)oxy]silane
PubChem CID139636399
Molecular FormulaC12H27IO3Si
Molecular Weight374.34 g/mol
Exact Mass374.08
IUPAC Nameiodo-tris[(2-methylpropan-2-yl)oxy]silane
SMILESCC(C)(C)O[Si](I)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C12H27IO3Si/c1-10(2,3)14-17(13,15-11(4,5)6)16-12(7,8)9/h1-9H3
InChIKeyYDKHFKNECFWBRL-UHFFFAOYSA-N
XLogP4.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Analyze iodo-tris[(2-methylpropan-2-yl)oxy]silane 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 iodo-tris[(2-methylpropan-2-yl)oxy]silane?
The IUPAC name of iodo-tris[(2-methylpropan-2-yl)oxy]silane (CID 139636399) is iodo-tris[(2-methylpropan-2-yl)oxy]silane.
What is the SMILES notation for iodo-tris[(2-methylpropan-2-yl)oxy]silane?
The canonical SMILES for iodo-tris[(2-methylpropan-2-yl)oxy]silane is CC(C)(C)O[Si](I)(OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of iodo-tris[(2-methylpropan-2-yl)oxy]silane?
The InChIKey is YDKHFKNECFWBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27IO3Si/c1-10(2,3)14-17(13,15-11(4,5)6)16-12(7,8)9/h1-9H3.
What are the key properties of iodo-tris[(2-methylpropan-2-yl)oxy]silane?
iodo-tris[(2-methylpropan-2-yl)oxy]silane has a molecular weight of 374.34 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iodo-tris[(2-methylpropan-2-yl)oxy]silane is sourced from PubChem (CID 139636399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).