(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxybutanal

C11H24O3Si — CID 164666994

IUPAC(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxybutanal
SMILESCO[C@H](C=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O3Si/c1-11(2,3)15(5,6)14-8-7-10(9-12)13-4/h9-10H,7-8H2,1-6H3/t10-/m0/s1
InChIKeyQQMAPNFUNFEGCI-JTQLQIEISA-N
MW232.40 g/mol
LogP2.61
Rot. Bonds6

About (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxybutanal

(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxybutanal (PubChem CID 164666994) has the molecular formula C11H24O3Si and a molecular weight of 232.40 g/mol. Its IUPAC name is (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxybutanal.

Molecular Properties

Compound Name(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxybutanal
PubChem CID164666994
Molecular FormulaC11H24O3Si
Molecular Weight232.40 g/mol
Exact Mass232.15
IUPAC Name(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxybutanal
SMILESCO[C@H](C=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O3Si/c1-11(2,3)15(5,6)14-8-7-10(9-12)13-4/h9-10H,7-8H2,1-6H3/t10-/m0/s1
InChIKeyQQMAPNFUNFEGCI-JTQLQIEISA-N
XLogP2.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 52.61
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

2-[(Tert-butyldimethylsilyl)oxy]pentanal
CID 85816433
(t-Butyldimethylsilyloxy)butanal
CID 13988776
(2S)-2-[tert-butyl(dimethyl)silyl]oxybutanal
CID 45113362
(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal
CID 71761915
(R)-t-butyldimethylsiloxybutyraldehyde
CID 11052702
4-Methoxy-3-methyl-2-(2-trimethylsilylethoxy)butanal
CID 87973232
4-[Tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanal
CID 141472188
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanal
CID 144859906
2-[Tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanal
CID 173584299
3-[Tert-butyl(dimethyl)silyl]oxetane-2-carbaldehyde
CID 175084357
(4R)-2,2-ditert-butyl-1,3,2-dioxasilinane-4-carbaldehyde
CID 10890159
(2R,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpentanal
CID 16062477

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxybutanal?
The IUPAC name of (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxybutanal (CID 164666994) is (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxybutanal.
What is the SMILES notation for (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxybutanal?
The canonical SMILES for (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxybutanal is CO[C@H](C=O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxybutanal?
The InChIKey is QQMAPNFUNFEGCI-JTQLQIEISA-N. The full InChI is InChI=1S/C11H24O3Si/c1-11(2,3)15(5,6)14-8-7-10(9-12)13-4/h9-10H,7-8H2,1-6H3/t10-/m0/s1.
What are the key properties of (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxybutanal?
(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxybutanal has a molecular weight of 232.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxybutanal is sourced from PubChem (CID 164666994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).