1-(acetyl-methyl-prop-1-enylsilyl)ethanone

C8H14O2Si — CID 89427468

IUPAC1-(acetyl-methyl-prop-1-enylsilyl)ethanone
SMILESCC=C[Si](C)(C(C)=O)C(C)=O
InChIInChI=1S/C8H14O2Si/c1-5-6-11(4,7(2)9)8(3)10/h5-6H,1-4H3
InChIKeyOTQBHLHLPVECFG-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.44
Rot. Bonds3

About 1-(acetyl-methyl-prop-1-enylsilyl)ethanone

1-(acetyl-methyl-prop-1-enylsilyl)ethanone (PubChem CID 89427468) has the molecular formula C8H14O2Si and a molecular weight of 170.28 g/mol. Its IUPAC name is 1-(acetyl-methyl-prop-1-enylsilyl)ethanone.

Molecular Properties

Compound Name1-(acetyl-methyl-prop-1-enylsilyl)ethanone
PubChem CID89427468
Molecular FormulaC8H14O2Si
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name1-(acetyl-methyl-prop-1-enylsilyl)ethanone
SMILESCC=C[Si](C)(C(C)=O)C(C)=O
InChIInChI=1S/C8H14O2Si/c1-5-6-11(4,7(2)9)8(3)10/h5-6H,1-4H3
InChIKeyOTQBHLHLPVECFG-UHFFFAOYSA-N
XLogP1.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(acetyl-methyl-prop-1-enylsilyl)ethanone?
The IUPAC name of 1-(acetyl-methyl-prop-1-enylsilyl)ethanone (CID 89427468) is 1-(acetyl-methyl-prop-1-enylsilyl)ethanone.
What is the SMILES notation for 1-(acetyl-methyl-prop-1-enylsilyl)ethanone?
The canonical SMILES for 1-(acetyl-methyl-prop-1-enylsilyl)ethanone is CC=C[Si](C)(C(C)=O)C(C)=O.
What is the InChIKey of 1-(acetyl-methyl-prop-1-enylsilyl)ethanone?
The InChIKey is OTQBHLHLPVECFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2Si/c1-5-6-11(4,7(2)9)8(3)10/h5-6H,1-4H3.
What are the key properties of 1-(acetyl-methyl-prop-1-enylsilyl)ethanone?
1-(acetyl-methyl-prop-1-enylsilyl)ethanone has a molecular weight of 170.28 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(acetyl-methyl-prop-1-enylsilyl)ethanone is sourced from PubChem (CID 89427468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).