1-[diacetyl(prop-2-enyl)silyl]ethanone

C9H14O3Si — CID 89427553

IUPAC1-[diacetyl(prop-2-enyl)silyl]ethanone
SMILESC=CC[Si](C(C)=O)(C(C)=O)C(C)=O
InChIInChI=1S/C9H14O3Si/c1-5-6-13(7(2)10,8(3)11)9(4)12/h5H,1,6H2,2-4H3
InChIKeyHCIKADFMJGROCO-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.01
Rot. Bonds5

About 1-[diacetyl(prop-2-enyl)silyl]ethanone

1-[diacetyl(prop-2-enyl)silyl]ethanone (PubChem CID 89427553) has the molecular formula C9H14O3Si and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-[diacetyl(prop-2-enyl)silyl]ethanone.

Molecular Properties

Compound Name1-[diacetyl(prop-2-enyl)silyl]ethanone
PubChem CID89427553
Molecular FormulaC9H14O3Si
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name1-[diacetyl(prop-2-enyl)silyl]ethanone
SMILESC=CC[Si](C(C)=O)(C(C)=O)C(C)=O
InChIInChI=1S/C9H14O3Si/c1-5-6-13(7(2)10,8(3)11)9(4)12/h5H,1,6H2,2-4H3
InChIKeyHCIKADFMJGROCO-UHFFFAOYSA-N
XLogP1.01
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[diacetyl(prop-2-enyl)silyl]ethanone?
The IUPAC name of 1-[diacetyl(prop-2-enyl)silyl]ethanone (CID 89427553) is 1-[diacetyl(prop-2-enyl)silyl]ethanone.
What is the SMILES notation for 1-[diacetyl(prop-2-enyl)silyl]ethanone?
The canonical SMILES for 1-[diacetyl(prop-2-enyl)silyl]ethanone is C=CC[Si](C(C)=O)(C(C)=O)C(C)=O.
What is the InChIKey of 1-[diacetyl(prop-2-enyl)silyl]ethanone?
The InChIKey is HCIKADFMJGROCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3Si/c1-5-6-13(7(2)10,8(3)11)9(4)12/h5H,1,6H2,2-4H3.
What are the key properties of 1-[diacetyl(prop-2-enyl)silyl]ethanone?
1-[diacetyl(prop-2-enyl)silyl]ethanone has a molecular weight of 198.29 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diacetyl(prop-2-enyl)silyl]ethanone is sourced from PubChem (CID 89427553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).