4-O-[3,6-dioxohept-4-en-2-yloxy(dimethyl)silyl] 1-O-methyl but-2-enedioate

C14H20O7Si — CID 123887213

IUPAC4-O-[3,6-dioxohept-4-en-2-yloxy(dimethyl)silyl] 1-O-methyl but-2-enedioate
SMILESCOC(=O)C=CC(=O)O[Si](C)(C)OC(C)C(=O)C=CC(C)=O
InChIInChI=1S/C14H20O7Si/c1-10(15)6-7-12(16)11(2)20-22(4,5)21-14(18)9-8-13(17)19-3/h6-9,11H,1-5H3
InChIKeyUHZKEFUIZIOBGO-UHFFFAOYSA-N
MW328.39 g/mol
LogP1.08
Rot. Bonds8

About 4-O-[3,6-dioxohept-4-en-2-yloxy(dimethyl)silyl] 1-O-methyl but-2-enedioate

4-O-[3,6-dioxohept-4-en-2-yloxy(dimethyl)silyl] 1-O-methyl but-2-enedioate (PubChem CID 123887213) has the molecular formula C14H20O7Si and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-O-[3,6-dioxohept-4-en-2-yloxy(dimethyl)silyl] 1-O-methyl but-2-enedioate.

Molecular Properties

Compound Name4-O-[3,6-dioxohept-4-en-2-yloxy(dimethyl)silyl] 1-O-methyl but-2-enedioate
PubChem CID123887213
Molecular FormulaC14H20O7Si
Molecular Weight328.39 g/mol
Exact Mass328.10
IUPAC Name4-O-[3,6-dioxohept-4-en-2-yloxy(dimethyl)silyl] 1-O-methyl but-2-enedioate
SMILESCOC(=O)C=CC(=O)O[Si](C)(C)OC(C)C(=O)C=CC(C)=O
InChIInChI=1S/C14H20O7Si/c1-10(15)6-7-12(16)11(2)20-22(4,5)21-14(18)9-8-13(17)19-3/h6-9,11H,1-5H3
InChIKeyUHZKEFUIZIOBGO-UHFFFAOYSA-N
XLogP1.08
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-O-[3,6-dioxohept-4-en-2-yloxy(dimethyl)silyl] 1-O-methyl but-2-enedioate?
The IUPAC name of 4-O-[3,6-dioxohept-4-en-2-yloxy(dimethyl)silyl] 1-O-methyl but-2-enedioate (CID 123887213) is 4-O-[3,6-dioxohept-4-en-2-yloxy(dimethyl)silyl] 1-O-methyl but-2-enedioate.
What is the SMILES notation for 4-O-[3,6-dioxohept-4-en-2-yloxy(dimethyl)silyl] 1-O-methyl but-2-enedioate?
The canonical SMILES for 4-O-[3,6-dioxohept-4-en-2-yloxy(dimethyl)silyl] 1-O-methyl but-2-enedioate is COC(=O)C=CC(=O)O[Si](C)(C)OC(C)C(=O)C=CC(C)=O.
What is the InChIKey of 4-O-[3,6-dioxohept-4-en-2-yloxy(dimethyl)silyl] 1-O-methyl but-2-enedioate?
The InChIKey is UHZKEFUIZIOBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O7Si/c1-10(15)6-7-12(16)11(2)20-22(4,5)21-14(18)9-8-13(17)19-3/h6-9,11H,1-5H3.
What are the key properties of 4-O-[3,6-dioxohept-4-en-2-yloxy(dimethyl)silyl] 1-O-methyl but-2-enedioate?
4-O-[3,6-dioxohept-4-en-2-yloxy(dimethyl)silyl] 1-O-methyl but-2-enedioate has a molecular weight of 328.39 g/mol, XLogP of 1.08, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-[3,6-dioxohept-4-en-2-yloxy(dimethyl)silyl] 1-O-methyl but-2-enedioate is sourced from PubChem (CID 123887213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).