(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpropanal

C16H36O3Si2 — CID 44517038

IUPAC(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpropanal
SMILESCC(C)(C)[Si](C)(C)OC[C@@](C)(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36O3Si2/c1-14(2,3)20(8,9)18-13-16(7,12-17)19-21(10,11)15(4,5)6/h12H,13H2,1-11H3/t16-/m1/s1
InChIKeyMTXSENJIPKWRTJ-MRXNPFEDSA-N
MW332.63 g/mol
LogP4.99
Rot. Bonds6

About (2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpropanal

(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpropanal (PubChem CID 44517038) has the molecular formula C16H36O3Si2 and a molecular weight of 332.63 g/mol. Its IUPAC name is (2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpropanal.

Molecular Properties

Compound Name(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpropanal
PubChem CID44517038
Molecular FormulaC16H36O3Si2
Molecular Weight332.63 g/mol
Exact Mass332.22
IUPAC Name(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpropanal
SMILESCC(C)(C)[Si](C)(C)OC[C@@](C)(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36O3Si2/c1-14(2,3)20(8,9)18-13-16(7,12-17)19-21(10,11)15(4,5)6/h12H,13H2,1-11H3/t16-/m1/s1
InChIKeyMTXSENJIPKWRTJ-MRXNPFEDSA-N
XLogP4.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 54.99
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

(2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal
CID 46237117
tert-butyl-(2,2-difluoropropoxy)-dimethylsilane
CID 123170783
5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentanal
CID 102015279
tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate
CID 74079206
(NE)-N-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropylidene]hydroxylamine
CID 121006548
tert-butyl-(1-iodo-3-methylpent-1-en-3-yl)oxy-dimethylsilane
CID 173222661
3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropane-1,1-diol
CID 123722416
N-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]acetamide
CID 91697077
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal
CID 19914775
tert-butyl-(chloromethoxy)-dimethylsilane
CID 14145745
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoxy]-dimethylsilane
CID 123215238
2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]ethanamine
CID 11427595

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpropanal?
The IUPAC name of (2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpropanal (CID 44517038) is (2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpropanal.
What is the SMILES notation for (2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpropanal?
The canonical SMILES for (2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpropanal is CC(C)(C)[Si](C)(C)OC[C@@](C)(C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpropanal?
The InChIKey is MTXSENJIPKWRTJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H36O3Si2/c1-14(2,3)20(8,9)18-13-16(7,12-17)19-21(10,11)15(4,5)6/h12H,13H2,1-11H3/t16-/m1/s1.
What are the key properties of (2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpropanal?
(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpropanal has a molecular weight of 332.63 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpropanal is sourced from PubChem (CID 44517038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).