(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal

C16H36O3Si2 — CID 71761915

IUPAC(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36O3Si2/c1-15(2,3)20(7,8)18-12-11-14(13-17)19-21(9,10)16(4,5)6/h13-14H,11-12H2,1-10H3/t14-/m0/s1
InChIKeyRBOFIFHIOLTKAO-AWEZNQCLSA-N
MW332.63 g/mol
LogP4.99
Rot. Bonds7

About (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal

(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal (PubChem CID 71761915) has the molecular formula C16H36O3Si2 and a molecular weight of 332.63 g/mol. Its IUPAC name is (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal.

Molecular Properties

Compound Name(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal
PubChem CID71761915
Molecular FormulaC16H36O3Si2
Molecular Weight332.63 g/mol
Exact Mass332.22
IUPAC Name(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36O3Si2/c1-15(2,3)20(7,8)18-12-11-14(13-17)19-21(9,10)16(4,5)6/h13-14H,11-12H2,1-10H3/t14-/m0/s1
InChIKeyRBOFIFHIOLTKAO-AWEZNQCLSA-N
XLogP4.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 54.99
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)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal 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

(S)-3,5-di-(tert-butyldimethylsilyloxy)-pentan-2-one
CID 11782967
(t-Butyldimethylsilyloxy)butanal
CID 13988776
(2S)-2-[tert-butyl(dimethyl)silyl]oxybutanal
CID 45113362
(3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal
CID 11954976
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-tri(propan-2-yl)silyloxybutanal
CID 135014418
(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanedial
CID 154707128
(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxybutanal
CID 164666994
(R)-t-butyldimethylsiloxybutyraldehyde
CID 11052702
3,5-Bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one
CID 22244475
(3S)-3,5-bis[[tert-butyl(diethyl)silyl]oxy]pentan-2-one
CID 87954170
(4R)-2,2-ditert-butyl-1,3,2-dioxasilinane-4-carbaldehyde
CID 10890159
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-triethylsilyloxybutanal
CID 11131794

Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal?
The IUPAC name of (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal (CID 71761915) is (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal.
What is the SMILES notation for (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal?
The canonical SMILES for (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal is CC(C)(C)[Si](C)(C)OCC[C@@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal?
The InChIKey is RBOFIFHIOLTKAO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H36O3Si2/c1-15(2,3)20(7,8)18-12-11-14(13-17)19-21(9,10)16(4,5)6/h13-14H,11-12H2,1-10H3/t14-/m0/s1.
What are the key properties of (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal?
(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal has a molecular weight of 332.63 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal is sourced from PubChem (CID 71761915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).