2-[tert-butyl(dimethyl)silyl]peroxy-3-hydroxy-3-methylbutanal

C11H24O4Si — CID 101410813

IUPAC2-[tert-butyl(dimethyl)silyl]peroxy-3-hydroxy-3-methylbutanal
SMILESCC(C)(O)C(C=O)OO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O4Si/c1-10(2,3)16(6,7)15-14-9(8-12)11(4,5)13/h8-9,13H,1-7H3
InChIKeyFDLCVAYKHPCGFU-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.28
Rot. Bonds5

About 2-[tert-butyl(dimethyl)silyl]peroxy-3-hydroxy-3-methylbutanal

2-[tert-butyl(dimethyl)silyl]peroxy-3-hydroxy-3-methylbutanal (PubChem CID 101410813) has the molecular formula C11H24O4Si and a molecular weight of 248.39 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]peroxy-3-hydroxy-3-methylbutanal.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]peroxy-3-hydroxy-3-methylbutanal
PubChem CID101410813
Molecular FormulaC11H24O4Si
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Name2-[tert-butyl(dimethyl)silyl]peroxy-3-hydroxy-3-methylbutanal
SMILESCC(C)(O)C(C=O)OO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O4Si/c1-10(2,3)16(6,7)15-14-9(8-12)11(4,5)13/h8-9,13H,1-7H3
InChIKeyFDLCVAYKHPCGFU-UHFFFAOYSA-N
XLogP2.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

3-Hydroxy-3-methyl-2-tri(propan-2-yl)silylperoxybutanal
CID 101410814
3-Methyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutanal
CID 101410815
2-[Tert-butyl(dimethyl)silyl]peroxy-3-methyl-3-trimethylsilyloxybutanal
CID 101410816
(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxybutanal
CID 135040198
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpentanal
CID 11299602
(2R,3R)-3-[tert-butyl(dimethyl)silyl]peroxy-2,4-dihydroxybutanal
CID 140314385
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpentanal
CID 166003866
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpent-4-ynal
CID 101256241
3-[Tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(dimethyl)silyl]peroxy-3-methylbutanal
CID 101860348

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]peroxy-3-hydroxy-3-methylbutanal?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]peroxy-3-hydroxy-3-methylbutanal (CID 101410813) is 2-[tert-butyl(dimethyl)silyl]peroxy-3-hydroxy-3-methylbutanal.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]peroxy-3-hydroxy-3-methylbutanal?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]peroxy-3-hydroxy-3-methylbutanal is CC(C)(O)C(C=O)OO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]peroxy-3-hydroxy-3-methylbutanal?
The InChIKey is FDLCVAYKHPCGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4Si/c1-10(2,3)16(6,7)15-14-9(8-12)11(4,5)13/h8-9,13H,1-7H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]peroxy-3-hydroxy-3-methylbutanal?
2-[tert-butyl(dimethyl)silyl]peroxy-3-hydroxy-3-methylbutanal has a molecular weight of 248.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]peroxy-3-hydroxy-3-methylbutanal is sourced from PubChem (CID 101410813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).