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

C12H26O2Si — CID 135011630

IUPAC(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal
SMILESCC[C@@H](C)[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-8-10(2)11(9-13)14-15(6,7)12(3,4)5/h9-11H,8H2,1-7H3/t10-,11-/m1/s1
InChIKeyCFRYASSSTMUHPS-GHMZBOCLSA-N
MW230.42 g/mol
LogP3.62
Rot. Bonds5

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

(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal (PubChem CID 135011630) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal.

Molecular Properties

Compound Name(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal
PubChem CID135011630
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal
SMILESCC[C@@H](C)[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-8-10(2)11(9-13)14-15(6,7)12(3,4)5/h9-11H,8H2,1-7H3/t10-,11-/m1/s1
InChIKeyCFRYASSSTMUHPS-GHMZBOCLSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.62
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

1-((Tert-butyldimethylsilyl)oxy)cyclobutane-1-carbaldehyde
CID 145874545
2-[(Tert-butyldimethylsilyl)oxy]pentanal
CID 85816433
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal
CID 10910964
cis-(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopropane-1-carbaldehyde
CID 13925583
(t-Butyldimethylsilyloxy)butanal
CID 13988776
(2S)-2-[tert-butyl(dimethyl)silyl]oxybutanal
CID 45113362
(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal
CID 58991004
(4R)-4-[tert-butyl(dimethyl)silyl]oxypentanal
CID 87732766
(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal
CID 11138971
(2R,4R)-2-methyl-4-triethylsilyloxypentanal
CID 11379230
(2S)-3-methyl-2-tri(propan-2-yl)silyloxybutanal
CID 11737026
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal
CID 45102973

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal?
The IUPAC name of (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal (CID 135011630) is (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal.
What is the SMILES notation for (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal?
The canonical SMILES for (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal is CC[C@@H](C)[C@@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal?
The InChIKey is CFRYASSSTMUHPS-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-8-10(2)11(9-13)14-15(6,7)12(3,4)5/h9-11H,8H2,1-7H3/t10-,11-/m1/s1.
What are the key properties of (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal?
(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal has a molecular weight of 230.42 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal is sourced from PubChem (CID 135011630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).