(2S,3S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxybutanal

C16H36O4Si2 — CID 135006937

IUPAC(2S,3S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxybutanal
SMILESCC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36O4Si2/c1-15(2,3)21(7,8)19-12-13(18)14(11-17)20-22(9,10)16(4,5)6/h11,13-14,18H,12H2,1-10H3/t13-,14+/m0/s1
InChIKeyXVARBXGGYXZZNN-UONOGXRCSA-N
MW348.63 g/mol
LogP3.96
Rot. Bonds7

About (2S,3S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxybutanal

(2S,3S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxybutanal (PubChem CID 135006937) has the molecular formula C16H36O4Si2 and a molecular weight of 348.63 g/mol. Its IUPAC name is (2S,3S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxybutanal.

Molecular Properties

Compound Name(2S,3S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxybutanal
PubChem CID135006937
Molecular FormulaC16H36O4Si2
Molecular Weight348.63 g/mol
Exact Mass348.22
IUPAC Name(2S,3S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxybutanal
SMILESCC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36O4Si2/c1-15(2,3)21(7,8)19-12-13(18)14(11-17)20-22(9,10)16(4,5)6/h11,13-14,18H,12H2,1-10H3/t13-,14+/m0/s1
InChIKeyXVARBXGGYXZZNN-UONOGXRCSA-N
XLogP3.96
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.63
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-3-hydroxy-2,4-bis[tri(propan-2-yl)silyloxy]butanal
CID 11270435
(2S,3S)-3-hydroxy-2,4-bis[tri(propan-2-yl)silyloxy]butanal
CID 24879930
(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]butanal
CID 134860973
(2S,3R)-3-hydroxy-2,4-bis[tri(propan-2-yl)silyloxy]butanal;(2R,3R)-3-hydroxy-2,4-bis[tri(propan-2-yl)silyloxy]butanal
CID 134997516
(2S,3S)-3-hydroxy-2,4-bis[tri(propan-2-yl)silyloxy]butanal;(2R,3S)-3-hydroxy-2,4-bis[tri(propan-2-yl)silyloxy]butanal
CID 134997517
(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxybutanal
CID 135040198
(2R,3S)-2-[butyl(dimethyl)silyl]oxy-3,4-dihydroxybutanal
CID 87864203
(2R,3S)-1-[butyl(dimethyl)silyl]-2,3,4-trihydroxybutan-1-one
CID 87864204
Bis(tributylsilyl) 2-hydroxybutanedioate
CID 139812732
Bis[tri(propan-2-yl)silyl] 2-hydroxybutanedioate
CID 139812733
(2R,3R)-3-[tert-butyl(dimethyl)silyl]peroxy-2,4-dihydroxybutanal
CID 140314385
2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanoate;2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate
CID 160363845

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxybutanal?
The IUPAC name of (2S,3S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxybutanal (CID 135006937) is (2S,3S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxybutanal.
What is the SMILES notation for (2S,3S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxybutanal?
The canonical SMILES for (2S,3S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxybutanal is CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxybutanal?
The InChIKey is XVARBXGGYXZZNN-UONOGXRCSA-N. The full InChI is InChI=1S/C16H36O4Si2/c1-15(2,3)21(7,8)19-12-13(18)14(11-17)20-22(9,10)16(4,5)6/h11,13-14,18H,12H2,1-10H3/t13-,14+/m0/s1.
What are the key properties of (2S,3S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxybutanal?
(2S,3S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxybutanal has a molecular weight of 348.63 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxybutanal is sourced from PubChem (CID 135006937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).