2-[tert-butyl(dimethyl)silyl]peroxy-3-methyl-3-trimethylsilyloxybutanal

C14H32O4Si2 — CID 101410816

IUPAC2-[tert-butyl(dimethyl)silyl]peroxy-3-methyl-3-trimethylsilyloxybutanal
SMILESCC(C)(O[Si](C)(C)C)C(C=O)OO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H32O4Si2/c1-13(2,3)20(9,10)18-16-12(11-15)14(4,5)17-19(6,7)8/h11-12H,1-10H3
InChIKeyGXBZBIOOWIXRJP-UHFFFAOYSA-N
MW320.58 g/mol
LogP4.14
Rot. Bonds7

About 2-[tert-butyl(dimethyl)silyl]peroxy-3-methyl-3-trimethylsilyloxybutanal

2-[tert-butyl(dimethyl)silyl]peroxy-3-methyl-3-trimethylsilyloxybutanal (PubChem CID 101410816) has the molecular formula C14H32O4Si2 and a molecular weight of 320.58 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]peroxy-3-methyl-3-trimethylsilyloxybutanal.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]peroxy-3-methyl-3-trimethylsilyloxybutanal
PubChem CID101410816
Molecular FormulaC14H32O4Si2
Molecular Weight320.58 g/mol
Exact Mass320.18
IUPAC Name2-[tert-butyl(dimethyl)silyl]peroxy-3-methyl-3-trimethylsilyloxybutanal
SMILESCC(C)(O[Si](C)(C)C)C(C=O)OO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H32O4Si2/c1-13(2,3)20(9,10)18-16-12(11-15)14(4,5)17-19(6,7)8/h11-12H,1-10H3
InChIKeyGXBZBIOOWIXRJP-UHFFFAOYSA-N
XLogP4.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.58
LogP ≤ 54.14
H-Bond Donors ≤ 50
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'}

Analyze 2-[tert-butyl(dimethyl)silyl]peroxy-3-methyl-3-trimethylsilyloxybutanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal
CID 102285060
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,5-dimethylhex-2-enoic acid
CID 87423006
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnonanal
CID 11558306
(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-enal
CID 10955754
2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid
CID 18962902
(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpropanal
CID 44517038
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pentanal
CID 88571352
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formylbutanamide
CID 141326729
(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 10490533
(2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal
CID 46237117
trichloro(2-trimethylsilyloxypropan-2-yl)silane
CID 20603294
(2S,3S,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-3-trimethylsilyloxyoctanal
CID 11811175

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]peroxy-3-methyl-3-trimethylsilyloxybutanal?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]peroxy-3-methyl-3-trimethylsilyloxybutanal (CID 101410816) is 2-[tert-butyl(dimethyl)silyl]peroxy-3-methyl-3-trimethylsilyloxybutanal.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]peroxy-3-methyl-3-trimethylsilyloxybutanal?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]peroxy-3-methyl-3-trimethylsilyloxybutanal is CC(C)(O[Si](C)(C)C)C(C=O)OO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]peroxy-3-methyl-3-trimethylsilyloxybutanal?
The InChIKey is GXBZBIOOWIXRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O4Si2/c1-13(2,3)20(9,10)18-16-12(11-15)14(4,5)17-19(6,7)8/h11-12H,1-10H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]peroxy-3-methyl-3-trimethylsilyloxybutanal?
2-[tert-butyl(dimethyl)silyl]peroxy-3-methyl-3-trimethylsilyloxybutanal has a molecular weight of 320.58 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]peroxy-3-methyl-3-trimethylsilyloxybutanal is sourced from PubChem (CID 101410816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).