3,3-dimethyl-1-silylbutan-1-one

C6H14OSi — CID 154090082

IUPAC3,3-dimethyl-1-silylbutan-1-one
SMILESCC(C)(C)CC(=O)[SiH3]
InChIInChI=1S/C6H14OSi/c1-6(2,3)4-5(7)8/h4H2,1-3,8H3
InChIKeyZRBHGOWKOSANFZ-UHFFFAOYSA-N
MW130.26 g/mol
LogP0.31
Rot. Bonds1

About 3,3-dimethyl-1-silylbutan-1-one

3,3-dimethyl-1-silylbutan-1-one (PubChem CID 154090082) has the molecular formula C6H14OSi and a molecular weight of 130.26 g/mol. Its IUPAC name is 3,3-dimethyl-1-silylbutan-1-one.

Molecular Properties

Compound Name3,3-dimethyl-1-silylbutan-1-one
PubChem CID154090082
Molecular FormulaC6H14OSi
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Name3,3-dimethyl-1-silylbutan-1-one
SMILESCC(C)(C)CC(=O)[SiH3]
InChIInChI=1S/C6H14OSi/c1-6(2,3)4-5(7)8/h4H2,1-3,8H3
InChIKeyZRBHGOWKOSANFZ-UHFFFAOYSA-N
XLogP0.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.26
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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hexadecakis(3,3-dimethylbutanoate);tetrakis(hafnium(4+))
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1-amino-4,4-dimethylpentan-2-one
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3,3-dimethylbutanoylperoxy 3,3-dimethylbutaneperoxoate
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CID 89417425
2,2,14,14-tetramethylpentadecane-4,12-dione
CID 158540576
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CID 57417970
tert-butyl 3,3-dimethylbutanoate;methane
CID 161060184
N-acetyl-3,3-dimethylbutanamide
CID 59565837

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-silylbutan-1-one?
The IUPAC name of 3,3-dimethyl-1-silylbutan-1-one (CID 154090082) is 3,3-dimethyl-1-silylbutan-1-one.
What is the SMILES notation for 3,3-dimethyl-1-silylbutan-1-one?
The canonical SMILES for 3,3-dimethyl-1-silylbutan-1-one is CC(C)(C)CC(=O)[SiH3].
What is the InChIKey of 3,3-dimethyl-1-silylbutan-1-one?
The InChIKey is ZRBHGOWKOSANFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OSi/c1-6(2,3)4-5(7)8/h4H2,1-3,8H3.
What are the key properties of 3,3-dimethyl-1-silylbutan-1-one?
3,3-dimethyl-1-silylbutan-1-one has a molecular weight of 130.26 g/mol, XLogP of 0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-silylbutan-1-one is sourced from PubChem (CID 154090082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).