4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylbutanal

C12H26O2Si — CID 22996398

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylbutanal
SMILESCC(C)(C=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-11(2,3)15(6,7)14-9-8-12(4,5)10-13/h10H,8-9H2,1-7H3
InChIKeyHHQXZLYAPXPFGZ-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.62
Rot. Bonds5

About 4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylbutanal

4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylbutanal (PubChem CID 22996398) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylbutanal.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylbutanal
PubChem CID22996398
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylbutanal
SMILESCC(C)(C=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-11(2,3)15(6,7)14-9-8-12(4,5)10-13/h10H,8-9H2,1-7H3
InChIKeyHHQXZLYAPXPFGZ-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.62
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

4-((Tert-butyldimethylsilyl)oxy)butanal
CID 10888976
(R)-4-(tert-Butyldimethylsilyloxy)-2-methylbutanal
CID 23727930
Butanal, 4-[[tris(1-methylethyl)silyl]oxy]-
CID 11075698
(S)-4-((tert-Butyldimethylsilyl)oxy)-3-methylbutanal
CID 14930679
4-[Diethyl(methyl)silyl]oxybutanal
CID 85908390
(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal
CID 121223198
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal
CID 10856909
4-(Tert-butyl-dimethyl-silanyloxy)-3,3-dimethyl-butyraldehyde
CID 10489671
4-{[tert-Butyl(dimethyl)silyl]oxy}-2-methylbutanal
CID 10727476
(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanal
CID 10988077
Butanal, 3-methyl-4-[[tris(1-methylethyl)silyl]oxy]-, (3S)-
CID 11242368
4,4-Dimethyl-5-t-butyldimethylsilyloxyvaleraldehyde
CID 14750112

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylbutanal?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylbutanal (CID 22996398) is 4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylbutanal.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylbutanal?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylbutanal is CC(C)(C=O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylbutanal?
The InChIKey is HHQXZLYAPXPFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-11(2,3)15(6,7)14-9-8-12(4,5)10-13/h10H,8-9H2,1-7H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylbutanal?
4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylbutanal has a molecular weight of 230.42 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylbutanal is sourced from PubChem (CID 22996398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).