2-diphenylsilyloxy-3,3-dimethylbutanal

C18H22O2Si — CID 173363396

IUPAC2-diphenylsilyloxy-3,3-dimethylbutanal
SMILESCC(C)(C)C(C=O)O[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O2Si/c1-18(2,3)17(14-19)20-21(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,17,21H,1-3H3
InChIKeyAKVXHFROQGURFG-UHFFFAOYSA-N
MW298.46 g/mol
LogP2.15
Rot. Bonds5

About 2-diphenylsilyloxy-3,3-dimethylbutanal

2-diphenylsilyloxy-3,3-dimethylbutanal (PubChem CID 173363396) has the molecular formula C18H22O2Si and a molecular weight of 298.46 g/mol. Its IUPAC name is 2-diphenylsilyloxy-3,3-dimethylbutanal.

Molecular Properties

Compound Name2-diphenylsilyloxy-3,3-dimethylbutanal
PubChem CID173363396
Molecular FormulaC18H22O2Si
Molecular Weight298.46 g/mol
Exact Mass298.14
IUPAC Name2-diphenylsilyloxy-3,3-dimethylbutanal
SMILESCC(C)(C)C(C=O)O[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O2Si/c1-18(2,3)17(14-19)20-21(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,17,21H,1-3H3
InChIKeyAKVXHFROQGURFG-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylhexan-3-yloxy(diphenyl)silane
CID 173016744
[2,2-dimethyl-1-[(2R)-thiiran-2-yl]propoxy]-diphenylsilane
CID 154162263
(1-cyclobutyl-2,2-dimethylpropoxy)-diphenylsilane
CID 173387668
6-diphenylsilyloxy-7,7-dimethyloct-1-ene-4,5-diol
CID 173316919
3-methyl-2-(4-methylphenoxy)-3-phenylbutanal
CID 88704999
dimethyl 2-(6-diphenylsilyloxy-7,7-dimethylocta-2,4-dienyl)-2-(6-hydroxy-3-methylhex-3-enyl)propanedioate
CID 173404005
2-[2-[2-[2-[2-(2-diphenylsilyloxy-3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 173024422
(4S)-3-diphenylsilyloxy-2,2,6-trimethylheptan-4-amine;trimethylalumane
CID 173186725
3-(4-chlorophenyl)-3-methyl-2-phenoxybutanal
CID 88704741
4-(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclohexane-1,2-diamine
CID 173121594
[(1S,2S,3S)-2,3-bis(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclobutyl]-phenylmethanone
CID 173309254
diphenylsilylperoxy(diphenyl)silane;trimethylsilane
CID 123626181

Frequently Asked Questions

What is the IUPAC name of 2-diphenylsilyloxy-3,3-dimethylbutanal?
The IUPAC name of 2-diphenylsilyloxy-3,3-dimethylbutanal (CID 173363396) is 2-diphenylsilyloxy-3,3-dimethylbutanal.
What is the SMILES notation for 2-diphenylsilyloxy-3,3-dimethylbutanal?
The canonical SMILES for 2-diphenylsilyloxy-3,3-dimethylbutanal is CC(C)(C)C(C=O)O[SiH](c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylsilyloxy-3,3-dimethylbutanal?
The InChIKey is AKVXHFROQGURFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2Si/c1-18(2,3)17(14-19)20-21(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,17,21H,1-3H3.
What are the key properties of 2-diphenylsilyloxy-3,3-dimethylbutanal?
2-diphenylsilyloxy-3,3-dimethylbutanal has a molecular weight of 298.46 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylsilyloxy-3,3-dimethylbutanal is sourced from PubChem (CID 173363396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).