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

C10H22O3Si — CID 57409534

IUPAC(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanal
SMILESCO[C@H](C=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22O3Si/c1-10(2,3)14(5,6)13-8-9(7-11)12-4/h7,9H,8H2,1-6H3/t9-/m1/s1
InChIKeySIODVXPTWNFBJE-SECBINFHSA-N
MW218.37 g/mol
LogP2.22
Rot. Bonds5

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

(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanal (PubChem CID 57409534) has the molecular formula C10H22O3Si and a molecular weight of 218.37 g/mol. Its IUPAC name is (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanal.

Molecular Properties

Compound Name(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanal
PubChem CID57409534
Molecular FormulaC10H22O3Si
Molecular Weight218.37 g/mol
Exact Mass218.13
IUPAC Name(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanal
SMILESCO[C@H](C=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22O3Si/c1-10(2,3)14(5,6)13-8-9(7-11)12-4/h7,9H,8H2,1-6H3/t9-/m1/s1
InChIKeySIODVXPTWNFBJE-SECBINFHSA-N
XLogP2.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 52.22
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'}

Analyze (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(Tert-butyldimethylsilyl)oxy]oxetane-3-carbaldehyde
CID 167733186
DL-Glyceraldehyde, 2TBDMS derivative
CID 71337298
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxybutanal
CID 24806491
(2R)-2-methoxy-3-tri(propan-2-yl)silyloxypropanal
CID 135038741
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxirane-2-carbaldehyde
CID 21573158
(2R)-2,3-bis(trimethylsilyloxy)propanal
CID 101662260
(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal
CID 44239380
3-o-t-Butyldimethylsilyl-2-o-methyl-rac-glyceraldehyde
CID 54307504
2-(2-((Tert-butyldimethylsilyl)oxy)ethoxy)acetaldehyde
CID 58406131
(2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropanal
CID 58593345
3-[Butyl(dimethyl)silyl]oxy-2-methoxypropanal
CID 87848337
(2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde
CID 89393450

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanal?
The IUPAC name of (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanal (CID 57409534) is (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanal.
What is the SMILES notation for (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanal?
The canonical SMILES for (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanal is CO[C@H](C=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanal?
The InChIKey is SIODVXPTWNFBJE-SECBINFHSA-N. The full InChI is InChI=1S/C10H22O3Si/c1-10(2,3)14(5,6)13-8-9(7-11)12-4/h7,9H,8H2,1-6H3/t9-/m1/s1.
What are the key properties of (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanal?
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanal has a molecular weight of 218.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanal is sourced from PubChem (CID 57409534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).