[diacetyloxy(hex-1-enyl)silyl] acetate

C12H20O6Si — CID 54079709

IUPAC[diacetyloxy(hex-1-enyl)silyl] acetate
SMILESCCCCC=C[Si](OC(C)=O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C12H20O6Si/c1-5-6-7-8-9-19(16-10(2)13,17-11(3)14)18-12(4)15/h8-9H,5-7H2,1-4H3
InChIKeyMMFIOPNDFYGQBV-UHFFFAOYSA-N
MW288.37 g/mol
LogP1.90
Rot. Bonds7

About [diacetyloxy(hex-1-enyl)silyl] acetate

[diacetyloxy(hex-1-enyl)silyl] acetate (PubChem CID 54079709) has the molecular formula C12H20O6Si and a molecular weight of 288.37 g/mol. Its IUPAC name is [diacetyloxy(hex-1-enyl)silyl] acetate.

Molecular Properties

Compound Name[diacetyloxy(hex-1-enyl)silyl] acetate
PubChem CID54079709
Molecular FormulaC12H20O6Si
Molecular Weight288.37 g/mol
Exact Mass288.10
IUPAC Name[diacetyloxy(hex-1-enyl)silyl] acetate
SMILESCCCCC=C[Si](OC(C)=O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C12H20O6Si/c1-5-6-7-8-9-19(16-10(2)13,17-11(3)14)18-12(4)15/h8-9H,5-7H2,1-4H3
InChIKeyMMFIOPNDFYGQBV-UHFFFAOYSA-N
XLogP1.90
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [diacetyloxy(hex-1-enyl)silyl] acetate?
The IUPAC name of [diacetyloxy(hex-1-enyl)silyl] acetate (CID 54079709) is [diacetyloxy(hex-1-enyl)silyl] acetate.
What is the SMILES notation for [diacetyloxy(hex-1-enyl)silyl] acetate?
The canonical SMILES for [diacetyloxy(hex-1-enyl)silyl] acetate is CCCCC=C[Si](OC(C)=O)(OC(C)=O)OC(C)=O.
What is the InChIKey of [diacetyloxy(hex-1-enyl)silyl] acetate?
The InChIKey is MMFIOPNDFYGQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O6Si/c1-5-6-7-8-9-19(16-10(2)13,17-11(3)14)18-12(4)15/h8-9H,5-7H2,1-4H3.
What are the key properties of [diacetyloxy(hex-1-enyl)silyl] acetate?
[diacetyloxy(hex-1-enyl)silyl] acetate has a molecular weight of 288.37 g/mol, XLogP of 1.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy(hex-1-enyl)silyl] acetate is sourced from PubChem (CID 54079709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).