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

C11H24O2Si — CID 10910964

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal
SMILESCC(C)[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O2Si/c1-9(2)10(8-12)13-14(6,7)11(3,4)5/h8-10H,1-7H3/t10-/m1/s1
InChIKeyWOEGQGYRKUXGOR-SNVBAGLBSA-N
MW216.40 g/mol
LogP3.23
Rot. Bonds4

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

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal (PubChem CID 10910964) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal
PubChem CID10910964
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal
SMILESCC(C)[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O2Si/c1-9(2)10(8-12)13-14(6,7)11(3,4)5/h8-10H,1-7H3/t10-/m1/s1
InChIKeyWOEGQGYRKUXGOR-SNVBAGLBSA-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'}

Analyze (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(tert-butyldimethylsilyl)oxy]propanal
CID 10987035
2-((Tert-butyldimethylsilyl)oxy)propanal
CID 10932206
(2S)-2-[(tert-butyldimethylsilyl)oxy]propanal
CID 10954305
2-((Tert-butyldimethylsilyl)oxy)-2-methylpropanal
CID 25191670
2-[(Tert-butyldimethylsilyl)oxy]pentanal
CID 85816433
2-((Tert-butyldimethylsilyl)oxy)-2-methylbutanal
CID 155858286
(2S)-2-tri(propan-2-yl)silyloxypropanal
CID 11075239
(2S)-2-triethylsilyloxypropanal
CID 11171468
(t-Butyldimethylsilyloxy)butanal
CID 13988776
(2S)-2-[tert-butyl(dimethyl)silyl]oxybutanal
CID 45113362
(2R,3R)-2-methyl-3-triethylsilyloxybutanal
CID 11206709
(2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxybutanal
CID 11448296

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal (CID 10910964) is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal is CC(C)[C@@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal?
The InChIKey is WOEGQGYRKUXGOR-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-9(2)10(8-12)13-14(6,7)11(3,4)5/h8-10H,1-7H3/t10-/m1/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal?
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-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)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal is sourced from PubChem (CID 10910964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).