3-trimethylsilylpropane-1,2-diol

C6H16O2Si — CID 4105497

IUPAC3-trimethylsilylpropane-1,2-diol
SMILESC[Si](C)(C)CC(O)CO
InChIInChI=1S/C6H16O2Si/c1-9(2,3)5-6(8)4-7/h6-8H,4-5H2,1-3H3
InChIKeyGNKKKKDUZKUFPJ-UHFFFAOYSA-N
MW148.28 g/mol
LogP0.68
Rot. Bonds3

About 3-trimethylsilylpropane-1,2-diol

3-trimethylsilylpropane-1,2-diol (PubChem CID 4105497) has the molecular formula C6H16O2Si and a molecular weight of 148.28 g/mol. Its IUPAC name is 3-trimethylsilylpropane-1,2-diol.

Molecular Properties

Compound Name3-trimethylsilylpropane-1,2-diol
PubChem CID4105497
Molecular FormulaC6H16O2Si
Molecular Weight148.28 g/mol
Exact Mass148.09
IUPAC Name3-trimethylsilylpropane-1,2-diol
SMILESC[Si](C)(C)CC(O)CO
InChIInChI=1S/C6H16O2Si/c1-9(2,3)5-6(8)4-7/h6-8H,4-5H2,1-3H3
InChIKeyGNKKKKDUZKUFPJ-UHFFFAOYSA-N
XLogP0.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.28
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-trimethylsilylpropane-1,2-diol?
The IUPAC name of 3-trimethylsilylpropane-1,2-diol (CID 4105497) is 3-trimethylsilylpropane-1,2-diol.
What is the SMILES notation for 3-trimethylsilylpropane-1,2-diol?
The canonical SMILES for 3-trimethylsilylpropane-1,2-diol is C[Si](C)(C)CC(O)CO.
What is the InChIKey of 3-trimethylsilylpropane-1,2-diol?
The InChIKey is GNKKKKDUZKUFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O2Si/c1-9(2,3)5-6(8)4-7/h6-8H,4-5H2,1-3H3.
What are the key properties of 3-trimethylsilylpropane-1,2-diol?
3-trimethylsilylpropane-1,2-diol has a molecular weight of 148.28 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilylpropane-1,2-diol is sourced from PubChem (CID 4105497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).