(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanal

C12H26O2Si — CID 10988077

IUPAC(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanal
SMILESCC(C=O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-10(8-13)11(2)9-14-15(6,7)12(3,4)5/h8,10-11H,9H2,1-7H3/t10?,11-/m0/s1
InChIKeyMFUYWZZGANVXAJ-DTIOYNMSSA-N
MW230.42 g/mol
LogP3.48
Rot. Bonds5

About (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanal

(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanal (PubChem CID 10988077) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanal.

Molecular Properties

Compound Name(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanal
PubChem CID10988077
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanal
SMILESCC(C=O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-10(8-13)11(2)9-14-15(6,7)12(3,4)5/h8,10-11H,9H2,1-7H3/t10?,11-/m0/s1
InChIKeyMFUYWZZGANVXAJ-DTIOYNMSSA-N
XLogP3.48
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 ≤ 53.48
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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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanal?
The IUPAC name of (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanal (CID 10988077) is (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanal.
What is the SMILES notation for (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanal?
The canonical SMILES for (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanal is CC(C=O)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanal?
The InChIKey is MFUYWZZGANVXAJ-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-10(8-13)11(2)9-14-15(6,7)12(3,4)5/h8,10-11H,9H2,1-7H3/t10?,11-/m0/s1.
What are the key properties of (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanal?
(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanal has a molecular weight of 230.42 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanal is sourced from PubChem (CID 10988077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).