[diacetyloxy(but-2-enyl)silyl] acetate

C10H16O6Si — CID 54000706

IUPAC[diacetyloxy(but-2-enyl)silyl] acetate
SMILESCC=CC[Si](OC(C)=O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C10H16O6Si/c1-5-6-7-17(14-8(2)11,15-9(3)12)16-10(4)13/h5-6H,7H2,1-4H3
InChIKeyKLJPHYYSEZIQOW-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.19
Rot. Bonds5

About [diacetyloxy(but-2-enyl)silyl] acetate

[diacetyloxy(but-2-enyl)silyl] acetate (PubChem CID 54000706) has the molecular formula C10H16O6Si and a molecular weight of 260.32 g/mol. Its IUPAC name is [diacetyloxy(but-2-enyl)silyl] acetate.

Molecular Properties

Compound Name[diacetyloxy(but-2-enyl)silyl] acetate
PubChem CID54000706
Molecular FormulaC10H16O6Si
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name[diacetyloxy(but-2-enyl)silyl] acetate
SMILESCC=CC[Si](OC(C)=O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C10H16O6Si/c1-5-6-7-17(14-8(2)11,15-9(3)12)16-10(4)13/h5-6H,7H2,1-4H3
InChIKeyKLJPHYYSEZIQOW-UHFFFAOYSA-N
XLogP1.19
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 [diacetyloxy(but-2-enyl)silyl] acetate?
The IUPAC name of [diacetyloxy(but-2-enyl)silyl] acetate (CID 54000706) is [diacetyloxy(but-2-enyl)silyl] acetate.
What is the SMILES notation for [diacetyloxy(but-2-enyl)silyl] acetate?
The canonical SMILES for [diacetyloxy(but-2-enyl)silyl] acetate is CC=CC[Si](OC(C)=O)(OC(C)=O)OC(C)=O.
What is the InChIKey of [diacetyloxy(but-2-enyl)silyl] acetate?
The InChIKey is KLJPHYYSEZIQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6Si/c1-5-6-7-17(14-8(2)11,15-9(3)12)16-10(4)13/h5-6H,7H2,1-4H3.
What are the key properties of [diacetyloxy(but-2-enyl)silyl] acetate?
[diacetyloxy(but-2-enyl)silyl] acetate has a molecular weight of 260.32 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy(but-2-enyl)silyl] acetate is sourced from PubChem (CID 54000706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).