3-iodo-1-trimethylsilylpropan-1-ol

C6H15IOSi — CID 57121811

IUPAC3-iodo-1-trimethylsilylpropan-1-ol
SMILESC[Si](C)(C)C(O)CCI
InChIInChI=1S/C6H15IOSi/c1-9(2,3)6(8)4-5-7/h6,8H,4-5H2,1-3H3
InChIKeyYYIFDZCTVSBAEN-UHFFFAOYSA-N
MW258.18 g/mol
LogP2.05
Rot. Bonds3

About 3-iodo-1-trimethylsilylpropan-1-ol

3-iodo-1-trimethylsilylpropan-1-ol (PubChem CID 57121811) has the molecular formula C6H15IOSi and a molecular weight of 258.18 g/mol. Its IUPAC name is 3-iodo-1-trimethylsilylpropan-1-ol.

Molecular Properties

Compound Name3-iodo-1-trimethylsilylpropan-1-ol
PubChem CID57121811
Molecular FormulaC6H15IOSi
Molecular Weight258.18 g/mol
Exact Mass257.99
IUPAC Name3-iodo-1-trimethylsilylpropan-1-ol
SMILESC[Si](C)(C)C(O)CCI
InChIInChI=1S/C6H15IOSi/c1-9(2,3)6(8)4-5-7/h6,8H,4-5H2,1-3H3
InChIKeyYYIFDZCTVSBAEN-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.18
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-iodo-1-trimethylsilylpropan-1-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 3-iodo-1-trimethylsilylpropan-1-ol?
The IUPAC name of 3-iodo-1-trimethylsilylpropan-1-ol (CID 57121811) is 3-iodo-1-trimethylsilylpropan-1-ol.
What is the SMILES notation for 3-iodo-1-trimethylsilylpropan-1-ol?
The canonical SMILES for 3-iodo-1-trimethylsilylpropan-1-ol is C[Si](C)(C)C(O)CCI.
What is the InChIKey of 3-iodo-1-trimethylsilylpropan-1-ol?
The InChIKey is YYIFDZCTVSBAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15IOSi/c1-9(2,3)6(8)4-5-7/h6,8H,4-5H2,1-3H3.
What are the key properties of 3-iodo-1-trimethylsilylpropan-1-ol?
3-iodo-1-trimethylsilylpropan-1-ol has a molecular weight of 258.18 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-trimethylsilylpropan-1-ol is sourced from PubChem (CID 57121811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).