1-tri(propan-2-yl)silylpropan-1-one

C12H26OSi — CID 3781751

IUPAC1-tri(propan-2-yl)silylpropan-1-one
SMILESCCC(=O)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C12H26OSi/c1-8-12(13)14(9(2)3,10(4)5)11(6)7/h9-11H,8H2,1-7H3
InChIKeyHZVKXGKSEBKLMV-UHFFFAOYSA-N
MW214.42 g/mol
LogP4.18
Rot. Bonds5

About 1-tri(propan-2-yl)silylpropan-1-one

1-tri(propan-2-yl)silylpropan-1-one (PubChem CID 3781751) has the molecular formula C12H26OSi and a molecular weight of 214.42 g/mol. Its IUPAC name is 1-tri(propan-2-yl)silylpropan-1-one.

Molecular Properties

Compound Name1-tri(propan-2-yl)silylpropan-1-one
PubChem CID3781751
Molecular FormulaC12H26OSi
Molecular Weight214.42 g/mol
Exact Mass214.18
IUPAC Name1-tri(propan-2-yl)silylpropan-1-one
SMILESCCC(=O)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C12H26OSi/c1-8-12(13)14(9(2)3,10(4)5)11(6)7/h9-11H,8H2,1-7H3
InChIKeyHZVKXGKSEBKLMV-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.42
LogP ≤ 54.18
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

Ethenone, [tris(1-methylethyl)silyl]-
CID 5325347
1-Trimethylsilylpropan-1-one
CID 11851195
2-Fluoro-1-tri(propan-2-yl)silylethanone
CID 86211349
(Triisopropylsilyl)trimethylsilylketene
CID 15496182
Acetyl(tert-butyl)dimethylsilane
CID 11367157
1-(Trimethylsilyl)butan-1-one
CID 12519742
1-(Trimethylsilyl)butan-2-one
CID 13225580
4-(Trimethylsilyl)-2-butanone
CID 13407685
1-Triethylsilylpropan-2-one
CID 15033603
1-(Triethylsilyl)ethan-1-one
CID 14400427
Silane, trimethyl(2-methyl-1-oxopropyl)-
CID 4695109
2-Trimethylsilylpentan-3-one
CID 12465007

Frequently Asked Questions

What is the IUPAC name of 1-tri(propan-2-yl)silylpropan-1-one?
The IUPAC name of 1-tri(propan-2-yl)silylpropan-1-one (CID 3781751) is 1-tri(propan-2-yl)silylpropan-1-one.
What is the SMILES notation for 1-tri(propan-2-yl)silylpropan-1-one?
The canonical SMILES for 1-tri(propan-2-yl)silylpropan-1-one is CCC(=O)[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 1-tri(propan-2-yl)silylpropan-1-one?
The InChIKey is HZVKXGKSEBKLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26OSi/c1-8-12(13)14(9(2)3,10(4)5)11(6)7/h9-11H,8H2,1-7H3.
What are the key properties of 1-tri(propan-2-yl)silylpropan-1-one?
1-tri(propan-2-yl)silylpropan-1-one has a molecular weight of 214.42 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tri(propan-2-yl)silylpropan-1-one is sourced from PubChem (CID 3781751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).