3,3-dimethylbutan-2-yl(triethoxy)silane

C12H28O3Si — CID 91365282

IUPAC3,3-dimethylbutan-2-yl(triethoxy)silane
SMILESCCO[Si](OCC)(OCC)C(C)C(C)(C)C
InChIInChI=1S/C12H28O3Si/c1-8-13-16(14-9-2,15-10-3)11(4)12(5,6)7/h11H,8-10H2,1-7H3
InChIKeyXUBBBUKQNKVIML-UHFFFAOYSA-N
MW248.44 g/mol
LogP3.47
Rot. Bonds7

About 3,3-dimethylbutan-2-yl(triethoxy)silane

3,3-dimethylbutan-2-yl(triethoxy)silane (PubChem CID 91365282) has the molecular formula C12H28O3Si and a molecular weight of 248.44 g/mol. Its IUPAC name is 3,3-dimethylbutan-2-yl(triethoxy)silane.

Molecular Properties

Compound Name3,3-dimethylbutan-2-yl(triethoxy)silane
PubChem CID91365282
Molecular FormulaC12H28O3Si
Molecular Weight248.44 g/mol
Exact Mass248.18
IUPAC Name3,3-dimethylbutan-2-yl(triethoxy)silane
SMILESCCO[Si](OCC)(OCC)C(C)C(C)(C)C
InChIInChI=1S/C12H28O3Si/c1-8-13-16(14-9-2,15-10-3)11(4)12(5,6)7/h11H,8-10H2,1-7H3
InChIKeyXUBBBUKQNKVIML-UHFFFAOYSA-N
XLogP3.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-dimethylbutan-2-yl(triethoxy)silane?
The IUPAC name of 3,3-dimethylbutan-2-yl(triethoxy)silane (CID 91365282) is 3,3-dimethylbutan-2-yl(triethoxy)silane.
What is the SMILES notation for 3,3-dimethylbutan-2-yl(triethoxy)silane?
The canonical SMILES for 3,3-dimethylbutan-2-yl(triethoxy)silane is CCO[Si](OCC)(OCC)C(C)C(C)(C)C.
What is the InChIKey of 3,3-dimethylbutan-2-yl(triethoxy)silane?
The InChIKey is XUBBBUKQNKVIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O3Si/c1-8-13-16(14-9-2,15-10-3)11(4)12(5,6)7/h11H,8-10H2,1-7H3.
What are the key properties of 3,3-dimethylbutan-2-yl(triethoxy)silane?
3,3-dimethylbutan-2-yl(triethoxy)silane has a molecular weight of 248.44 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutan-2-yl(triethoxy)silane is sourced from PubChem (CID 91365282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).