5-[dimethyl(2-methylpropyl)silyl]oxy-2-methyl-5-oxopent-2-enoic acid

C12H22O4Si — CID 90705559

IUPAC5-[dimethyl(2-methylpropyl)silyl]oxy-2-methyl-5-oxopent-2-enoic acid
SMILESCC(=CCC(=O)O[Si](C)(C)CC(C)C)C(=O)O
InChIInChI=1S/C12H22O4Si/c1-9(2)8-17(4,5)16-11(13)7-6-10(3)12(14)15/h6,9H,7-8H2,1-5H3,(H,14,15)
InChIKeyKVOWZXLHYREGPL-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.81
Rot. Bonds6

About 5-[dimethyl(2-methylpropyl)silyl]oxy-2-methyl-5-oxopent-2-enoic acid

5-[dimethyl(2-methylpropyl)silyl]oxy-2-methyl-5-oxopent-2-enoic acid (PubChem CID 90705559) has the molecular formula C12H22O4Si and a molecular weight of 258.39 g/mol. Its IUPAC name is 5-[dimethyl(2-methylpropyl)silyl]oxy-2-methyl-5-oxopent-2-enoic acid.

Molecular Properties

Compound Name5-[dimethyl(2-methylpropyl)silyl]oxy-2-methyl-5-oxopent-2-enoic acid
PubChem CID90705559
Molecular FormulaC12H22O4Si
Molecular Weight258.39 g/mol
Exact Mass258.13
IUPAC Name5-[dimethyl(2-methylpropyl)silyl]oxy-2-methyl-5-oxopent-2-enoic acid
SMILESCC(=CCC(=O)O[Si](C)(C)CC(C)C)C(=O)O
InChIInChI=1S/C12H22O4Si/c1-9(2)8-17(4,5)16-11(13)7-6-10(3)12(14)15/h6,9H,7-8H2,1-5H3,(H,14,15)
InChIKeyKVOWZXLHYREGPL-UHFFFAOYSA-N
XLogP2.81
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-[dimethyl(2-methylpropyl)silyl]oxy-2-methyl-5-oxopent-2-enoic acid?
The IUPAC name of 5-[dimethyl(2-methylpropyl)silyl]oxy-2-methyl-5-oxopent-2-enoic acid (CID 90705559) is 5-[dimethyl(2-methylpropyl)silyl]oxy-2-methyl-5-oxopent-2-enoic acid.
What is the SMILES notation for 5-[dimethyl(2-methylpropyl)silyl]oxy-2-methyl-5-oxopent-2-enoic acid?
The canonical SMILES for 5-[dimethyl(2-methylpropyl)silyl]oxy-2-methyl-5-oxopent-2-enoic acid is CC(=CCC(=O)O[Si](C)(C)CC(C)C)C(=O)O.
What is the InChIKey of 5-[dimethyl(2-methylpropyl)silyl]oxy-2-methyl-5-oxopent-2-enoic acid?
The InChIKey is KVOWZXLHYREGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4Si/c1-9(2)8-17(4,5)16-11(13)7-6-10(3)12(14)15/h6,9H,7-8H2,1-5H3,(H,14,15).
What are the key properties of 5-[dimethyl(2-methylpropyl)silyl]oxy-2-methyl-5-oxopent-2-enoic acid?
5-[dimethyl(2-methylpropyl)silyl]oxy-2-methyl-5-oxopent-2-enoic acid has a molecular weight of 258.39 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[dimethyl(2-methylpropyl)silyl]oxy-2-methyl-5-oxopent-2-enoic acid is sourced from PubChem (CID 90705559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).