3,3-dimethylpentan-2-yl(dimethoxy)silane

C9H22O2Si — CID 173004269

IUPAC3,3-dimethylpentan-2-yl(dimethoxy)silane
SMILESCCC(C)(C)C(C)[SiH](OC)OC
InChIInChI=1S/C9H22O2Si/c1-7-9(3,4)8(2)12(10-5)11-6/h8,12H,7H2,1-6H3
InChIKeyABRWEGPEXXSZQU-UHFFFAOYSA-N
MW190.36 g/mol
LogP2.33
Rot. Bonds5

About 3,3-dimethylpentan-2-yl(dimethoxy)silane

3,3-dimethylpentan-2-yl(dimethoxy)silane (PubChem CID 173004269) has the molecular formula C9H22O2Si and a molecular weight of 190.36 g/mol. Its IUPAC name is 3,3-dimethylpentan-2-yl(dimethoxy)silane.

Molecular Properties

Compound Name3,3-dimethylpentan-2-yl(dimethoxy)silane
PubChem CID173004269
Molecular FormulaC9H22O2Si
Molecular Weight190.36 g/mol
Exact Mass190.14
IUPAC Name3,3-dimethylpentan-2-yl(dimethoxy)silane
SMILESCCC(C)(C)C(C)[SiH](OC)OC
InChIInChI=1S/C9H22O2Si/c1-7-9(3,4)8(2)12(10-5)11-6/h8,12H,7H2,1-6H3
InChIKeyABRWEGPEXXSZQU-UHFFFAOYSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.36
LogP ≤ 52.33
H-Bond Donors ≤ 50
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 3,3-dimethylpentan-2-yl(dimethoxy)silane?
The IUPAC name of 3,3-dimethylpentan-2-yl(dimethoxy)silane (CID 173004269) is 3,3-dimethylpentan-2-yl(dimethoxy)silane.
What is the SMILES notation for 3,3-dimethylpentan-2-yl(dimethoxy)silane?
The canonical SMILES for 3,3-dimethylpentan-2-yl(dimethoxy)silane is CCC(C)(C)C(C)[SiH](OC)OC.
What is the InChIKey of 3,3-dimethylpentan-2-yl(dimethoxy)silane?
The InChIKey is ABRWEGPEXXSZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O2Si/c1-7-9(3,4)8(2)12(10-5)11-6/h8,12H,7H2,1-6H3.
What are the key properties of 3,3-dimethylpentan-2-yl(dimethoxy)silane?
3,3-dimethylpentan-2-yl(dimethoxy)silane has a molecular weight of 190.36 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpentan-2-yl(dimethoxy)silane is sourced from PubChem (CID 173004269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).