2-[ditert-butyl(methyl)silyl]propan-2-ol

C12H28OSi — CID 46900817

IUPAC2-[ditert-butyl(methyl)silyl]propan-2-ol
SMILESCC(C)(C)[Si](C)(C(C)(C)C)C(C)(C)O
InChIInChI=1S/C12H28OSi/c1-10(2,3)14(9,11(4,5)6)12(7,8)13/h13H,1-9H3
InChIKeyMITYDVSVLRIKFA-UHFFFAOYSA-N
MW216.44 g/mol
LogP3.98
Rot. Bonds1

About 2-[ditert-butyl(methyl)silyl]propan-2-ol

2-[ditert-butyl(methyl)silyl]propan-2-ol (PubChem CID 46900817) has the molecular formula C12H28OSi and a molecular weight of 216.44 g/mol. Its IUPAC name is 2-[ditert-butyl(methyl)silyl]propan-2-ol.

Molecular Properties

Compound Name2-[ditert-butyl(methyl)silyl]propan-2-ol
PubChem CID46900817
Molecular FormulaC12H28OSi
Molecular Weight216.44 g/mol
Exact Mass216.19
IUPAC Name2-[ditert-butyl(methyl)silyl]propan-2-ol
SMILESCC(C)(C)[Si](C)(C(C)(C)C)C(C)(C)O
InChIInChI=1S/C12H28OSi/c1-10(2,3)14(9,11(4,5)6)12(7,8)13/h13H,1-9H3
InChIKeyMITYDVSVLRIKFA-UHFFFAOYSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[ditert-butyl(methyl)silyl]propan-2-ol 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 2-[ditert-butyl(methyl)silyl]propan-2-ol?
The IUPAC name of 2-[ditert-butyl(methyl)silyl]propan-2-ol (CID 46900817) is 2-[ditert-butyl(methyl)silyl]propan-2-ol.
What is the SMILES notation for 2-[ditert-butyl(methyl)silyl]propan-2-ol?
The canonical SMILES for 2-[ditert-butyl(methyl)silyl]propan-2-ol is CC(C)(C)[Si](C)(C(C)(C)C)C(C)(C)O.
What is the InChIKey of 2-[ditert-butyl(methyl)silyl]propan-2-ol?
The InChIKey is MITYDVSVLRIKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28OSi/c1-10(2,3)14(9,11(4,5)6)12(7,8)13/h13H,1-9H3.
What are the key properties of 2-[ditert-butyl(methyl)silyl]propan-2-ol?
2-[ditert-butyl(methyl)silyl]propan-2-ol has a molecular weight of 216.44 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ditert-butyl(methyl)silyl]propan-2-ol is sourced from PubChem (CID 46900817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).