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

C12H26O3Si — CID 135040925

IUPAC(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylbutanal
SMILESCC(C)(C=O)[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O3Si/c1-11(2,3)16(6,7)15-8-10(14)12(4,5)9-13/h9-10,14H,8H2,1-7H3/t10-/m0/s1
InChIKeyVIIVLVPTMKVDBN-JTQLQIEISA-N
MW246.42 g/mol
LogP2.59
Rot. Bonds5

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

(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylbutanal (PubChem CID 135040925) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylbutanal.

Molecular Properties

Compound Name(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylbutanal
PubChem CID135040925
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylbutanal
SMILESCC(C)(C=O)[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O3Si/c1-11(2,3)16(6,7)15-8-10(14)12(4,5)9-13/h9-10,14H,8H2,1-7H3/t10-/m0/s1
InChIKeyVIIVLVPTMKVDBN-JTQLQIEISA-N
XLogP2.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-3-hydroxy-2-methyl-4-tri(propan-2-yl)silyloxybutanal
CID 101733081
(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxybutanal
CID 135040198

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylbutanal?
The IUPAC name of (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylbutanal (CID 135040925) is (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylbutanal.
What is the SMILES notation for (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylbutanal?
The canonical SMILES for (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylbutanal is CC(C)(C=O)[C@@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylbutanal?
The InChIKey is VIIVLVPTMKVDBN-JTQLQIEISA-N. The full InChI is InChI=1S/C12H26O3Si/c1-11(2,3)16(6,7)15-8-10(14)12(4,5)9-13/h9-10,14H,8H2,1-7H3/t10-/m0/s1.
What are the key properties of (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylbutanal?
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylbutanal has a molecular weight of 246.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylbutanal is sourced from PubChem (CID 135040925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).