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

C12H26OSi — CID 121008261

IUPAC1-tri(propan-2-yl)silylpropan-2-one
SMILESCC(=O)C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C12H26OSi/c1-9(2)14(10(3)4,11(5)6)8-12(7)13/h9-11H,8H2,1-7H3
InChIKeyUAWFBCNQCZRMRM-UHFFFAOYSA-N
MW214.42 g/mol
LogP4.25
Rot. Bonds5

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

1-tri(propan-2-yl)silylpropan-2-one (PubChem CID 121008261) has the molecular formula C12H26OSi and a molecular weight of 214.42 g/mol. Its IUPAC name is 1-tri(propan-2-yl)silylpropan-2-one.

Molecular Properties

Compound Name1-tri(propan-2-yl)silylpropan-2-one
PubChem CID121008261
Molecular FormulaC12H26OSi
Molecular Weight214.42 g/mol
Exact Mass214.18
IUPAC Name1-tri(propan-2-yl)silylpropan-2-one
SMILESCC(=O)C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C12H26OSi/c1-9(2)14(10(3)4,11(5)6)8-12(7)13/h9-11H,8H2,1-7H3
InChIKeyUAWFBCNQCZRMRM-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
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

6-Trimethylsilylhexan-4-one
CID 14112750
4-[(1,1-Dimethylethyl)dimethylsilyl]-3-butyn-2-one
CID 21609410
1-Trimethylsilylpentan-2-one
CID 12457306
2-[Tert-butyl(dimethyl)silyl]pentan-3-one
CID 13775509
Acetyl(tert-butyl)dimethylsilane
CID 11367157
3-Pentanone, 1,5-bis(trimethylsilyl)-
CID 11481640
4-(Triisopropylsilyl)but-3-yn-2-one
CID 11708389
1-(Trimethylsilyl)-2-propanone
CID 12726179
1-(Trimethylsilyl)butan-2-one
CID 13225580
4-(Trimethylsilyl)-2-butanone
CID 13407685
1-Triethylsilylpropan-2-one
CID 15033603
Butyldimethylsilylpentadione
CID 87854103

Frequently Asked Questions

What is the IUPAC name of 1-tri(propan-2-yl)silylpropan-2-one?
The IUPAC name of 1-tri(propan-2-yl)silylpropan-2-one (CID 121008261) is 1-tri(propan-2-yl)silylpropan-2-one.
What is the SMILES notation for 1-tri(propan-2-yl)silylpropan-2-one?
The canonical SMILES for 1-tri(propan-2-yl)silylpropan-2-one is CC(=O)C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 1-tri(propan-2-yl)silylpropan-2-one?
The InChIKey is UAWFBCNQCZRMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26OSi/c1-9(2)14(10(3)4,11(5)6)8-12(7)13/h9-11H,8H2,1-7H3.
What are the key properties of 1-tri(propan-2-yl)silylpropan-2-one?
1-tri(propan-2-yl)silylpropan-2-one has a molecular weight of 214.42 g/mol, XLogP of 4.25, 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-2-one is sourced from PubChem (CID 121008261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).