(2R)-2-methyl-2,4-bis(triethylsilyloxy)butanal

C17H38O3Si2 — CID 16727030

IUPAC(2R)-2-methyl-2,4-bis(triethylsilyloxy)butanal
SMILESCC[Si](CC)(CC)OCC[C@](C)(C=O)O[Si](CC)(CC)CC
InChIInChI=1S/C17H38O3Si2/c1-8-21(9-2,10-3)19-15-14-17(7,16-18)20-22(11-4,12-5)13-6/h16H,8-15H2,1-7H3/t17-/m1/s1
InChIKeyZOWUJMYDBWNCII-QGZVFWFLSA-N
MW346.66 g/mol
LogP5.38
Rot. Bonds13

About (2R)-2-methyl-2,4-bis(triethylsilyloxy)butanal

(2R)-2-methyl-2,4-bis(triethylsilyloxy)butanal (PubChem CID 16727030) has the molecular formula C17H38O3Si2 and a molecular weight of 346.66 g/mol. Its IUPAC name is (2R)-2-methyl-2,4-bis(triethylsilyloxy)butanal.

Molecular Properties

Compound Name(2R)-2-methyl-2,4-bis(triethylsilyloxy)butanal
PubChem CID16727030
Molecular FormulaC17H38O3Si2
Molecular Weight346.66 g/mol
Exact Mass346.24
IUPAC Name(2R)-2-methyl-2,4-bis(triethylsilyloxy)butanal
SMILESCC[Si](CC)(CC)OCC[C@](C)(C=O)O[Si](CC)(CC)CC
InChIInChI=1S/C17H38O3Si2/c1-8-21(9-2,10-3)19-15-14-17(7,16-18)20-22(11-4,12-5)13-6/h16H,8-15H2,1-7H3/t17-/m1/s1
InChIKeyZOWUJMYDBWNCII-QGZVFWFLSA-N
XLogP5.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.66
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-((Tert-butyldimethylsilyl)oxy)-2-methylbutanal
CID 155858286
(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal
CID 71761915
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-triethylsilyloxybutanal
CID 11131794
4-[Tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanal
CID 169444971
4-[Dimethyl(2-methylpropyl)silyl]oxy-3-[[dimethyl(2-methylpropyl)silyl]oxymethyl]butanal
CID 170453387

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2,4-bis(triethylsilyloxy)butanal?
The IUPAC name of (2R)-2-methyl-2,4-bis(triethylsilyloxy)butanal (CID 16727030) is (2R)-2-methyl-2,4-bis(triethylsilyloxy)butanal.
What is the SMILES notation for (2R)-2-methyl-2,4-bis(triethylsilyloxy)butanal?
The canonical SMILES for (2R)-2-methyl-2,4-bis(triethylsilyloxy)butanal is CC[Si](CC)(CC)OCC[C@](C)(C=O)O[Si](CC)(CC)CC.
What is the InChIKey of (2R)-2-methyl-2,4-bis(triethylsilyloxy)butanal?
The InChIKey is ZOWUJMYDBWNCII-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H38O3Si2/c1-8-21(9-2,10-3)19-15-14-17(7,16-18)20-22(11-4,12-5)13-6/h16H,8-15H2,1-7H3/t17-/m1/s1.
What are the key properties of (2R)-2-methyl-2,4-bis(triethylsilyloxy)butanal?
(2R)-2-methyl-2,4-bis(triethylsilyloxy)butanal has a molecular weight of 346.66 g/mol, XLogP of 5.38, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2,4-bis(triethylsilyloxy)butanal is sourced from PubChem (CID 16727030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).