3-[(E)-4-[methyl(oxo)silyl]but-2-enyl]oxolane-2,5-dione

C9H12O4Si — CID 90159814

IUPAC3-[(E)-4-[methyl(oxo)silyl]but-2-enyl]oxolane-2,5-dione
SMILESC[Si](=O)C/C=C/CC1CC(=O)OC1=O
InChIInChI=1S/C9H12O4Si/c1-14(12)5-3-2-4-7-6-8(10)13-9(7)11/h2-3,7H,4-6H2,1H3/b3-2+
InChIKeyYXWZOGMHTUDKFH-NSCUHMNNSA-N
MW212.28 g/mol
LogP1.07
Rot. Bonds4

About 3-[(E)-4-[methyl(oxo)silyl]but-2-enyl]oxolane-2,5-dione

3-[(E)-4-[methyl(oxo)silyl]but-2-enyl]oxolane-2,5-dione (PubChem CID 90159814) has the molecular formula C9H12O4Si and a molecular weight of 212.28 g/mol. Its IUPAC name is 3-[(E)-4-[methyl(oxo)silyl]but-2-enyl]oxolane-2,5-dione.

Molecular Properties

Compound Name3-[(E)-4-[methyl(oxo)silyl]but-2-enyl]oxolane-2,5-dione
PubChem CID90159814
Molecular FormulaC9H12O4Si
Molecular Weight212.28 g/mol
Exact Mass212.05
IUPAC Name3-[(E)-4-[methyl(oxo)silyl]but-2-enyl]oxolane-2,5-dione
SMILESC[Si](=O)C/C=C/CC1CC(=O)OC1=O
InChIInChI=1S/C9H12O4Si/c1-14(12)5-3-2-4-7-6-8(10)13-9(7)11/h2-3,7H,4-6H2,1H3/b3-2+
InChIKeyYXWZOGMHTUDKFH-NSCUHMNNSA-N
XLogP1.07
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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 3-[(E)-4-[methyl(oxo)silyl]but-2-enyl]oxolane-2,5-dione?
The IUPAC name of 3-[(E)-4-[methyl(oxo)silyl]but-2-enyl]oxolane-2,5-dione (CID 90159814) is 3-[(E)-4-[methyl(oxo)silyl]but-2-enyl]oxolane-2,5-dione.
What is the SMILES notation for 3-[(E)-4-[methyl(oxo)silyl]but-2-enyl]oxolane-2,5-dione?
The canonical SMILES for 3-[(E)-4-[methyl(oxo)silyl]but-2-enyl]oxolane-2,5-dione is C[Si](=O)C/C=C/CC1CC(=O)OC1=O.
What is the InChIKey of 3-[(E)-4-[methyl(oxo)silyl]but-2-enyl]oxolane-2,5-dione?
The InChIKey is YXWZOGMHTUDKFH-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H12O4Si/c1-14(12)5-3-2-4-7-6-8(10)13-9(7)11/h2-3,7H,4-6H2,1H3/b3-2+.
What are the key properties of 3-[(E)-4-[methyl(oxo)silyl]but-2-enyl]oxolane-2,5-dione?
3-[(E)-4-[methyl(oxo)silyl]but-2-enyl]oxolane-2,5-dione has a molecular weight of 212.28 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-4-[methyl(oxo)silyl]but-2-enyl]oxolane-2,5-dione is sourced from PubChem (CID 90159814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).