(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal

C11H24O2Si — CID 14930679

IUPAC(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal
SMILESC[C@@H](CC=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O2Si/c1-10(7-8-12)9-13-14(5,6)11(2,3)4/h8,10H,7,9H2,1-6H3/t10-/m0/s1
InChIKeyXNTGGGQCYBRHIO-JTQLQIEISA-N
MW216.40 g/mol
LogP3.23
Rot. Bonds5

About (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal

(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal (PubChem CID 14930679) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal.

Molecular Properties

Compound Name(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal
PubChem CID14930679
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal
SMILESC[C@@H](CC=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O2Si/c1-10(7-8-12)9-13-14(5,6)11(2,3)4/h8,10H,7,9H2,1-6H3/t10-/m0/s1
InChIKeyXNTGGGQCYBRHIO-JTQLQIEISA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

4-((Tert-butyldimethylsilyl)oxy)butanal
CID 10888976
4-[(Trimethylsilyl)oxy]butanal
CID 12669706
(R)-4-(tert-Butyldimethylsilyloxy)-2-methylbutanal
CID 23727930
(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal
CID 58991004
3-Methyl-2-(triethylsilyloxymethyl)butanal
CID 10680995
(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal
CID 11138971
(2R,4R)-2-methyl-4-triethylsilyloxypentanal
CID 11379230
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal
CID 45102973
4-[Diethyl(methyl)silyl]oxybutanal
CID 85908390
(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal
CID 121223198
trans-(1S,2S)-2-[tri(propan-2-yl)silyloxymethyl]cyclopropane-1-carbaldehyde
CID 134886832
3-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpentanal
CID 21580437

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal?
The IUPAC name of (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal (CID 14930679) is (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal.
What is the SMILES notation for (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal?
The canonical SMILES for (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal is C[C@@H](CC=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal?
The InChIKey is XNTGGGQCYBRHIO-JTQLQIEISA-N. The full InChI is InChI=1S/C11H24O2Si/c1-10(7-8-12)9-13-14(5,6)11(2,3)4/h8,10H,7,9H2,1-6H3/t10-/m0/s1.
What are the key properties of (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal?
(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal has a molecular weight of 216.40 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal is sourced from PubChem (CID 14930679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).