[diacetyloxy(5-oxopent-3-enyl)silyl] acetate

C11H16O7Si — CID 87497068

IUPAC[diacetyloxy(5-oxopent-3-enyl)silyl] acetate
SMILESCC(=O)O[Si](CCC=CC=O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C11H16O7Si/c1-9(13)16-19(17-10(2)14,18-11(3)15)8-6-4-5-7-12/h4-5,7H,6,8H2,1-3H3
InChIKeyIIRIFPJNZWQEMO-UHFFFAOYSA-N
MW288.33 g/mol
LogP0.76
Rot. Bonds7

About [diacetyloxy(5-oxopent-3-enyl)silyl] acetate

[diacetyloxy(5-oxopent-3-enyl)silyl] acetate (PubChem CID 87497068) has the molecular formula C11H16O7Si and a molecular weight of 288.33 g/mol. Its IUPAC name is [diacetyloxy(5-oxopent-3-enyl)silyl] acetate.

Molecular Properties

Compound Name[diacetyloxy(5-oxopent-3-enyl)silyl] acetate
PubChem CID87497068
Molecular FormulaC11H16O7Si
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name[diacetyloxy(5-oxopent-3-enyl)silyl] acetate
SMILESCC(=O)O[Si](CCC=CC=O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C11H16O7Si/c1-9(13)16-19(17-10(2)14,18-11(3)15)8-6-4-5-7-12/h4-5,7H,6,8H2,1-3H3
InChIKeyIIRIFPJNZWQEMO-UHFFFAOYSA-N
XLogP0.76
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-oxohept-2-enal
CID 57259374
[diacetyloxy(oct-7-enyl)silyl] acetate
CID 145259170
[diacetyloxy-[3-(2-aminoethylamino)propyl]silyl] acetate
CID 22457230
(2E)-nona-2,6-dienal
CID 6992048
[diacetyloxy(sulfanylmethyl)silyl] acetate
CID 23065821
6-methylhepta-2,6-dienal
CID 54465037
(E)-hex-2-enal
CID 158800846
methyl (E)-7-oxohept-5-enoate
CID 10920751
(2E,13Z,24E)-hexacosa-2,13,24-trienedial
CID 24786697
(acetyloxy-ethyl-methoxysilyl) acetate
CID 18952615
[diacetyloxy(butyl)silyl] acetate;prop-2-enamide
CID 158770518
2-triacetyloxysilylethyl 2-methylprop-2-enoate
CID 22457265

Frequently Asked Questions

What is the IUPAC name of [diacetyloxy(5-oxopent-3-enyl)silyl] acetate?
The IUPAC name of [diacetyloxy(5-oxopent-3-enyl)silyl] acetate (CID 87497068) is [diacetyloxy(5-oxopent-3-enyl)silyl] acetate.
What is the SMILES notation for [diacetyloxy(5-oxopent-3-enyl)silyl] acetate?
The canonical SMILES for [diacetyloxy(5-oxopent-3-enyl)silyl] acetate is CC(=O)O[Si](CCC=CC=O)(OC(C)=O)OC(C)=O.
What is the InChIKey of [diacetyloxy(5-oxopent-3-enyl)silyl] acetate?
The InChIKey is IIRIFPJNZWQEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O7Si/c1-9(13)16-19(17-10(2)14,18-11(3)15)8-6-4-5-7-12/h4-5,7H,6,8H2,1-3H3.
What are the key properties of [diacetyloxy(5-oxopent-3-enyl)silyl] acetate?
[diacetyloxy(5-oxopent-3-enyl)silyl] acetate has a molecular weight of 288.33 g/mol, XLogP of 0.76, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy(5-oxopent-3-enyl)silyl] acetate is sourced from PubChem (CID 87497068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).