3-methyl-2-(triethylsilyloxymethyl)butanal

C12H26O2Si — CID 10680995

IUPAC3-methyl-2-(triethylsilyloxymethyl)butanal
SMILESCC[Si](CC)(CC)OCC(C=O)C(C)C
InChIInChI=1S/C12H26O2Si/c1-6-15(7-2,8-3)14-10-12(9-13)11(4)5/h9,11-12H,6-8,10H2,1-5H3
InChIKeyZFKYXRIBIITOPG-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.48
Rot. Bonds8

About 3-methyl-2-(triethylsilyloxymethyl)butanal

3-methyl-2-(triethylsilyloxymethyl)butanal (PubChem CID 10680995) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is 3-methyl-2-(triethylsilyloxymethyl)butanal.

Molecular Properties

Compound Name3-methyl-2-(triethylsilyloxymethyl)butanal
PubChem CID10680995
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name3-methyl-2-(triethylsilyloxymethyl)butanal
SMILESCC[Si](CC)(CC)OCC(C=O)C(C)C
InChIInChI=1S/C12H26O2Si/c1-6-15(7-2,8-3)14-10-12(9-13)11(4)5/h9,11-12H,6-8,10H2,1-5H3
InChIKeyZFKYXRIBIITOPG-UHFFFAOYSA-N
XLogP3.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.48
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

3-((Tert-butyldimethylsilyl)oxy)propanal
CID 3662392
3-((Tert-butyldimethylsilyl)oxy)-2-methylpropanal
CID 11041832
3-[(Tert-butyldimethylsilyl)oxy]-3-methylbutanal
CID 101526187
1-(((Tert-butyldimethylsilyl)oxy)methyl)cyclopropane-1-carbaldehyde
CID 86614562
(S)-(+)-3-(t-butyldimethylsilyloxy)-2-methylpropanal
CID 10241965
(R)-4-(tert-Butyldimethylsilyloxy)-2-methylbutanal
CID 23727930
(2R)-3-[(tert-butyldimethylsilyl)oxy]-2-methylpropanal
CID 10965592
(S)-4-((tert-Butyldimethylsilyl)oxy)-3-methylbutanal
CID 14930679
2-Methyl-3-triethylsilyloxypropanal
CID 10655745
(2R,3R)-2-methyl-3-triethylsilyloxybutanal
CID 11206709
(2R)-2-methyl-3-triethylsilyloxypropanal
CID 11241121
(2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxybutanal
CID 11448296

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(triethylsilyloxymethyl)butanal?
The IUPAC name of 3-methyl-2-(triethylsilyloxymethyl)butanal (CID 10680995) is 3-methyl-2-(triethylsilyloxymethyl)butanal.
What is the SMILES notation for 3-methyl-2-(triethylsilyloxymethyl)butanal?
The canonical SMILES for 3-methyl-2-(triethylsilyloxymethyl)butanal is CC[Si](CC)(CC)OCC(C=O)C(C)C.
What is the InChIKey of 3-methyl-2-(triethylsilyloxymethyl)butanal?
The InChIKey is ZFKYXRIBIITOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-6-15(7-2,8-3)14-10-12(9-13)11(4)5/h9,11-12H,6-8,10H2,1-5H3.
What are the key properties of 3-methyl-2-(triethylsilyloxymethyl)butanal?
3-methyl-2-(triethylsilyloxymethyl)butanal has a molecular weight of 230.42 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(triethylsilyloxymethyl)butanal is sourced from PubChem (CID 10680995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).