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

C11H24O2Si — CID 11746053

IUPAC(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal
SMILESCC(C=O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O2Si/c1-9(8-12)10(2)13-14(6,7)11(3,4)5/h8-10H,1-7H3/t9?,10-/m0/s1
InChIKeyAQALMCLGKLZTCH-AXDSSHIGSA-N
MW216.40 g/mol
LogP3.23
Rot. Bonds4

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

(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal (PubChem CID 11746053) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal.

Molecular Properties

Compound Name(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal
PubChem CID11746053
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal
SMILESCC(C=O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O2Si/c1-9(8-12)10(2)13-14(6,7)11(3,4)5/h8-10H,1-7H3/t9?,10-/m0/s1
InChIKeyAQALMCLGKLZTCH-AXDSSHIGSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 53.23
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
3-((Tert-butyldimethylsilyl)oxy)pentanal
CID 14280331
3-[(Tert-butyldimethylsilyl)oxy]butanal
CID 568258
(S)-(+)-3-(t-butyldimethylsilyloxy)-2-methylpropanal
CID 10241965
(S)-3-t-Butyldimethylsilyloxybutanal
CID 10867393
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal
CID 10910964
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal
CID 10911390
(2R,3R)-3-((tert-butyldimethylsilyl)oxy)-2,4-dimethylpentanal
CID 11118283
(3R)-3-[tert-butyl(dimethyl)silyl]oxypentanal
CID 10846404
(2S,3S)-3-(t-Butyldimethylsilyloxy)-2-methylhexanal
CID 10879364

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal?
The IUPAC name of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal (CID 11746053) is (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal.
What is the SMILES notation for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal?
The canonical SMILES for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal is CC(C=O)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal?
The InChIKey is AQALMCLGKLZTCH-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-9(8-12)10(2)13-14(6,7)11(3,4)5/h8-10H,1-7H3/t9?,10-/m0/s1.
What are the key properties of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal?
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal has a molecular weight of 216.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal is sourced from PubChem (CID 11746053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).