2-dimethylsilyl-3,3-dimethylbutane-1,2-diol

C8H20O2Si — CID 174837270

IUPAC2-dimethylsilyl-3,3-dimethylbutane-1,2-diol
SMILESC[SiH](C)C(O)(CO)C(C)(C)C
InChIInChI=1S/C8H20O2Si/c1-7(2,3)8(10,6-9)11(4)5/h9-11H,6H2,1-5H3
InChIKeyXQFFCFHKUUJWRC-UHFFFAOYSA-N
MW176.33 g/mol
LogP0.78
Rot. Bonds2

About 2-dimethylsilyl-3,3-dimethylbutane-1,2-diol

2-dimethylsilyl-3,3-dimethylbutane-1,2-diol (PubChem CID 174837270) has the molecular formula C8H20O2Si and a molecular weight of 176.33 g/mol. Its IUPAC name is 2-dimethylsilyl-3,3-dimethylbutane-1,2-diol.

Molecular Properties

Compound Name2-dimethylsilyl-3,3-dimethylbutane-1,2-diol
PubChem CID174837270
Molecular FormulaC8H20O2Si
Molecular Weight176.33 g/mol
Exact Mass176.12
IUPAC Name2-dimethylsilyl-3,3-dimethylbutane-1,2-diol
SMILESC[SiH](C)C(O)(CO)C(C)(C)C
InChIInChI=1S/C8H20O2Si/c1-7(2,3)8(10,6-9)11(4)5/h9-11H,6H2,1-5H3
InChIKeyXQFFCFHKUUJWRC-UHFFFAOYSA-N
XLogP0.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.33
LogP ≤ 50.78
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 2-dimethylsilyl-3,3-dimethylbutane-1,2-diol?
The IUPAC name of 2-dimethylsilyl-3,3-dimethylbutane-1,2-diol (CID 174837270) is 2-dimethylsilyl-3,3-dimethylbutane-1,2-diol.
What is the SMILES notation for 2-dimethylsilyl-3,3-dimethylbutane-1,2-diol?
The canonical SMILES for 2-dimethylsilyl-3,3-dimethylbutane-1,2-diol is C[SiH](C)C(O)(CO)C(C)(C)C.
What is the InChIKey of 2-dimethylsilyl-3,3-dimethylbutane-1,2-diol?
The InChIKey is XQFFCFHKUUJWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O2Si/c1-7(2,3)8(10,6-9)11(4)5/h9-11H,6H2,1-5H3.
What are the key properties of 2-dimethylsilyl-3,3-dimethylbutane-1,2-diol?
2-dimethylsilyl-3,3-dimethylbutane-1,2-diol has a molecular weight of 176.33 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylsilyl-3,3-dimethylbutane-1,2-diol is sourced from PubChem (CID 174837270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).