[diacetyloxy-[4-(oxiran-2-yl)butyl]silyl] acetate

C12H20O7Si — CID 18508397

IUPAC[diacetyloxy-[4-(oxiran-2-yl)butyl]silyl] acetate
SMILESCC(=O)O[Si](CCCCC1CO1)(OC(C)=O)OC(C)=O
InChIInChI=1S/C12H20O7Si/c1-9(13)17-20(18-10(2)14,19-11(3)15)7-5-4-6-12-8-16-12/h12H,4-8H2,1-3H3
InChIKeyCMEYFXQCAOKFSL-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.18
Rot. Bonds8

About [diacetyloxy-[4-(oxiran-2-yl)butyl]silyl] acetate

[diacetyloxy-[4-(oxiran-2-yl)butyl]silyl] acetate (PubChem CID 18508397) has the molecular formula C12H20O7Si and a molecular weight of 304.37 g/mol. Its IUPAC name is [diacetyloxy-[4-(oxiran-2-yl)butyl]silyl] acetate.

Molecular Properties

Compound Name[diacetyloxy-[4-(oxiran-2-yl)butyl]silyl] acetate
PubChem CID18508397
Molecular FormulaC12H20O7Si
Molecular Weight304.37 g/mol
Exact Mass304.10
IUPAC Name[diacetyloxy-[4-(oxiran-2-yl)butyl]silyl] acetate
SMILESCC(=O)O[Si](CCCCC1CO1)(OC(C)=O)OC(C)=O
InChIInChI=1S/C12H20O7Si/c1-9(13)17-20(18-10(2)14,19-11(3)15)7-5-4-6-12-8-16-12/h12H,4-8H2,1-3H3
InChIKeyCMEYFXQCAOKFSL-UHFFFAOYSA-N
XLogP1.18
TPSA91.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [diacetyloxy-[4-(oxiran-2-yl)butyl]silyl] acetate?
The IUPAC name of [diacetyloxy-[4-(oxiran-2-yl)butyl]silyl] acetate (CID 18508397) is [diacetyloxy-[4-(oxiran-2-yl)butyl]silyl] acetate.
What is the SMILES notation for [diacetyloxy-[4-(oxiran-2-yl)butyl]silyl] acetate?
The canonical SMILES for [diacetyloxy-[4-(oxiran-2-yl)butyl]silyl] acetate is CC(=O)O[Si](CCCCC1CO1)(OC(C)=O)OC(C)=O.
What is the InChIKey of [diacetyloxy-[4-(oxiran-2-yl)butyl]silyl] acetate?
The InChIKey is CMEYFXQCAOKFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O7Si/c1-9(13)17-20(18-10(2)14,19-11(3)15)7-5-4-6-12-8-16-12/h12H,4-8H2,1-3H3.
What are the key properties of [diacetyloxy-[4-(oxiran-2-yl)butyl]silyl] acetate?
[diacetyloxy-[4-(oxiran-2-yl)butyl]silyl] acetate has a molecular weight of 304.37 g/mol, XLogP of 1.18, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy-[4-(oxiran-2-yl)butyl]silyl] acetate is sourced from PubChem (CID 18508397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).