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

C9H20O3Si — CID 91569808

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanal
SMILESCC(C)(C)[Si](C)(C)OCC(O)C=O
InChIInChI=1S/C9H20O3Si/c1-9(2,3)13(4,5)12-7-8(11)6-10/h6,8,11H,7H2,1-5H3
InChIKeyBYBUDCCLGHBUMI-UHFFFAOYSA-N
MW204.34 g/mol
LogP1.57
Rot. Bonds4

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

3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanal (PubChem CID 91569808) has the molecular formula C9H20O3Si and a molecular weight of 204.34 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanal.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanal
PubChem CID91569808
Molecular FormulaC9H20O3Si
Molecular Weight204.34 g/mol
Exact Mass204.12
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanal
SMILESCC(C)(C)[Si](C)(C)OCC(O)C=O
InChIInChI=1S/C9H20O3Si/c1-9(2,3)13(4,5)12-7-8(11)6-10/h6,8,11H,7H2,1-5H3
InChIKeyBYBUDCCLGHBUMI-UHFFFAOYSA-N
XLogP1.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 51.57
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

DL-Glyceraldehyde, 2TBDMS derivative
CID 71337298
(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxybutanal
CID 135040198
(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal
CID 44239380
Acetaldehyde;3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 90983917
3-Tert-butylsilyloxy-2-hydroxypropanal
CID 123815494
(2R,3R)-3-[tert-butyl(dimethyl)silyl]peroxy-2,4-dihydroxybutanal
CID 140314385
(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal;(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol
CID 162209214
3-[Tert-butyl(dimethyl)silyl]-2-hydroxypropanal
CID 166071460
2-Hydroxy-3-trimethylsilyloxypropanal
CID 175139139
(2S)-3-hydroxy-2-tri(propan-2-yl)silyloxypropanal
CID 11311180
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-triethylsilyloxypropanal
CID 101147414

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanal?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanal (CID 91569808) is 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanal.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanal?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanal is CC(C)(C)[Si](C)(C)OCC(O)C=O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanal?
The InChIKey is BYBUDCCLGHBUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3Si/c1-9(2,3)13(4,5)12-7-8(11)6-10/h6,8,11H,7H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanal?
3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanal has a molecular weight of 204.34 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanal is sourced from PubChem (CID 91569808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).