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

C15H34O3Si2 — CID 101147414

IUPAC(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-triethylsilyloxypropanal
SMILESCC[Si](CC)(CC)O[C@@H](C=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H34O3Si2/c1-9-20(10-2,11-3)18-14(12-16)13-17-19(7,8)15(4,5)6/h12,14H,9-11,13H2,1-8H3/t14-/m0/s1
InChIKeyNMJQESQJXRYEIC-AWEZNQCLSA-N
MW318.61 g/mol
LogP4.60
Rot. Bonds9

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

(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-triethylsilyloxypropanal (PubChem CID 101147414) has the molecular formula C15H34O3Si2 and a molecular weight of 318.61 g/mol. Its IUPAC name is (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-triethylsilyloxypropanal.

Molecular Properties

Compound Name(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-triethylsilyloxypropanal
PubChem CID101147414
Molecular FormulaC15H34O3Si2
Molecular Weight318.61 g/mol
Exact Mass318.20
IUPAC Name(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-triethylsilyloxypropanal
SMILESCC[Si](CC)(CC)O[C@@H](C=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H34O3Si2/c1-9-20(10-2,11-3)18-14(12-16)13-17-19(7,8)15(4,5)6/h12,14H,9-11,13H2,1-8H3/t14-/m0/s1
InChIKeyNMJQESQJXRYEIC-AWEZNQCLSA-N
XLogP4.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.61
LogP ≤ 54.60
H-Bond Donors ≤ 50
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

(2R)-2-[(tert-butyldimethylsilyl)oxy]propanal
CID 10987035
2-((Tert-butyldimethylsilyl)oxy)propanal
CID 10932206
(2S)-2-[(tert-butyldimethylsilyl)oxy]propanal
CID 10954305
DL-Glyceraldehyde, 2TBDMS derivative
CID 71337298
(3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal
CID 11954976
(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpropanal
CID 44517038
3-Methyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutanal
CID 101410815
2-[Tert-butyl(dimethyl)silyl]peroxy-3-methyl-3-trimethylsilyloxybutanal
CID 101410816
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-tri(propan-2-yl)silyloxybutanal
CID 135014418
(2R)-2-methoxy-3-tri(propan-2-yl)silyloxypropanal
CID 135038741
(2R)-2,3-bis(trimethylsilyloxy)propanal
CID 101662260
(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal
CID 44239380

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-triethylsilyloxypropanal?
The IUPAC name of (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-triethylsilyloxypropanal (CID 101147414) is (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-triethylsilyloxypropanal.
What is the SMILES notation for (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-triethylsilyloxypropanal?
The canonical SMILES for (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-triethylsilyloxypropanal is CC[Si](CC)(CC)O[C@@H](C=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-triethylsilyloxypropanal?
The InChIKey is NMJQESQJXRYEIC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H34O3Si2/c1-9-20(10-2,11-3)18-14(12-16)13-17-19(7,8)15(4,5)6/h12,14H,9-11,13H2,1-8H3/t14-/m0/s1.
What are the key properties of (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-triethylsilyloxypropanal?
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-triethylsilyloxypropanal has a molecular weight of 318.61 g/mol, XLogP of 4.60, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-triethylsilyloxypropanal is sourced from PubChem (CID 101147414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).