1-(1,1-dimethylsiletan-3-yl)propan-2-one

C8H16OSi — CID 139777852

IUPAC1-(1,1-dimethylsiletan-3-yl)propan-2-one
SMILESCC(=O)CC1C[Si](C)(C)C1
InChIInChI=1S/C8H16OSi/c1-7(9)4-8-5-10(2,3)6-8/h8H,4-6H2,1-3H3
InChIKeyXGPOMYAZSQCAFY-UHFFFAOYSA-N
MW156.30 g/mol
LogP2.30
Rot. Bonds2

About 1-(1,1-dimethylsiletan-3-yl)propan-2-one

1-(1,1-dimethylsiletan-3-yl)propan-2-one (PubChem CID 139777852) has the molecular formula C8H16OSi and a molecular weight of 156.30 g/mol. Its IUPAC name is 1-(1,1-dimethylsiletan-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(1,1-dimethylsiletan-3-yl)propan-2-one
PubChem CID139777852
Molecular FormulaC8H16OSi
Molecular Weight156.30 g/mol
Exact Mass156.10
IUPAC Name1-(1,1-dimethylsiletan-3-yl)propan-2-one
SMILESCC(=O)CC1C[Si](C)(C)C1
InChIInChI=1S/C8H16OSi/c1-7(9)4-8-5-10(2,3)6-8/h8H,4-6H2,1-3H3
InChIKeyXGPOMYAZSQCAFY-UHFFFAOYSA-N
XLogP2.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.30
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-(1,1-dimethylsiletan-3-yl)propan-2-one?
The IUPAC name of 1-(1,1-dimethylsiletan-3-yl)propan-2-one (CID 139777852) is 1-(1,1-dimethylsiletan-3-yl)propan-2-one.
What is the SMILES notation for 1-(1,1-dimethylsiletan-3-yl)propan-2-one?
The canonical SMILES for 1-(1,1-dimethylsiletan-3-yl)propan-2-one is CC(=O)CC1C[Si](C)(C)C1.
What is the InChIKey of 1-(1,1-dimethylsiletan-3-yl)propan-2-one?
The InChIKey is XGPOMYAZSQCAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OSi/c1-7(9)4-8-5-10(2,3)6-8/h8H,4-6H2,1-3H3.
What are the key properties of 1-(1,1-dimethylsiletan-3-yl)propan-2-one?
1-(1,1-dimethylsiletan-3-yl)propan-2-one has a molecular weight of 156.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dimethylsiletan-3-yl)propan-2-one is sourced from PubChem (CID 139777852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).