3-methyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutanal

C17H38O4Si2 — CID 101410815

IUPAC3-methyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutanal
SMILESCC(C)[Si](OOC(C=O)C(C)(C)O[Si](C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H38O4Si2/c1-13(2)23(14(3)4,15(5)6)21-19-16(12-18)17(7,8)20-22(9,10)11/h12-16H,1-11H3
InChIKeySRNIHZUWIGRKOQ-UHFFFAOYSA-N
MW362.66 g/mol
LogP5.31
Rot. Bonds10

About 3-methyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutanal

3-methyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutanal (PubChem CID 101410815) has the molecular formula C17H38O4Si2 and a molecular weight of 362.66 g/mol. Its IUPAC name is 3-methyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutanal.

Molecular Properties

Compound Name3-methyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutanal
PubChem CID101410815
Molecular FormulaC17H38O4Si2
Molecular Weight362.66 g/mol
Exact Mass362.23
IUPAC Name3-methyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutanal
SMILESCC(C)[Si](OOC(C=O)C(C)(C)O[Si](C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H38O4Si2/c1-13(2)23(14(3)4,15(5)6)21-19-16(12-18)17(7,8)20-22(9,10)11/h12-16H,1-11H3
InChIKeySRNIHZUWIGRKOQ-UHFFFAOYSA-N
XLogP5.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.66
LogP ≤ 55.31
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 3-methyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutanal 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

DL-Glyceraldehyde, 2TBDMS derivative
CID 71337298
(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpropanal
CID 44517038
2-[Tert-butyl(dimethyl)silyl]peroxy-3-hydroxy-3-methylbutanal
CID 101410813
3-Hydroxy-3-methyl-2-tri(propan-2-yl)silylperoxybutanal
CID 101410814
2-[Tert-butyl(dimethyl)silyl]peroxy-3-methyl-3-trimethylsilyloxybutanal
CID 101410816
(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal
CID 44239380
(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpropanal
CID 72707832
2,3-Bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpropanal
CID 75039555
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-triethylsilyloxypropanal
CID 101147414
(2S,3S)-4,4-dimethyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentanal
CID 101410817
(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 101575524
(2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 101575525

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutanal?
The IUPAC name of 3-methyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutanal (CID 101410815) is 3-methyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutanal.
What is the SMILES notation for 3-methyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutanal?
The canonical SMILES for 3-methyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutanal is CC(C)[Si](OOC(C=O)C(C)(C)O[Si](C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-methyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutanal?
The InChIKey is SRNIHZUWIGRKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O4Si2/c1-13(2)23(14(3)4,15(5)6)21-19-16(12-18)17(7,8)20-22(9,10)11/h12-16H,1-11H3.
What are the key properties of 3-methyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutanal?
3-methyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutanal has a molecular weight of 362.66 g/mol, XLogP of 5.31, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutanal is sourced from PubChem (CID 101410815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).