(2R,3R)-3-hydroxy-2,4-bis[tri(propan-2-yl)silyloxy]butanal

C22H48O4Si2 — CID 56963714

IUPAC(2R,3R)-3-hydroxy-2,4-bis[tri(propan-2-yl)silyloxy]butanal
SMILESCC(C)[Si](OC[C@@H](O)[C@H](C=O)O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H48O4Si2/c1-15(2)27(16(3)4,17(5)6)25-14-21(24)22(13-23)26-28(18(7)8,19(9)10)20(11)12/h13,15-22,24H,14H2,1-12H3/t21-,22+/m1/s1
InChIKeyVWLZJMUTEROJON-YADHBBJMSA-N
MW432.79 g/mol
LogP6.30
Rot. Bonds13

About (2R,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 (PubChem CID 56963714) has the molecular formula C22H48O4Si2 and a molecular weight of 432.79 g/mol. Its IUPAC name is (2R,3R)-3-hydroxy-2,4-bis[tri(propan-2-yl)silyloxy]butanal.

Molecular Properties

Compound Name(2R,3R)-3-hydroxy-2,4-bis[tri(propan-2-yl)silyloxy]butanal
PubChem CID56963714
Molecular FormulaC22H48O4Si2
Molecular Weight432.79 g/mol
Exact Mass432.31
IUPAC Name(2R,3R)-3-hydroxy-2,4-bis[tri(propan-2-yl)silyloxy]butanal
SMILESCC(C)[Si](OC[C@@H](O)[C@H](C=O)O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H48O4Si2/c1-15(2)27(16(3)4,17(5)6)25-14-21(24)22(13-23)26-28(18(7)8,19(9)10)20(11)12/h13,15-22,24H,14H2,1-12H3/t21-,22+/m1/s1
InChIKeyVWLZJMUTEROJON-YADHBBJMSA-N
XLogP6.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.79
LogP ≤ 56.30
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
(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
(2S,3S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxybutanal
CID 135006937
(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxybutanal
CID 135040198
D(-)-Erythrose, aldol, TMS
CID 91750474
(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

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-hydroxy-2,4-bis[tri(propan-2-yl)silyloxy]butanal?
The IUPAC name of (2R,3R)-3-hydroxy-2,4-bis[tri(propan-2-yl)silyloxy]butanal (CID 56963714) is (2R,3R)-3-hydroxy-2,4-bis[tri(propan-2-yl)silyloxy]butanal.
What is the SMILES notation for (2R,3R)-3-hydroxy-2,4-bis[tri(propan-2-yl)silyloxy]butanal?
The canonical SMILES for (2R,3R)-3-hydroxy-2,4-bis[tri(propan-2-yl)silyloxy]butanal is CC(C)[Si](OC[C@@H](O)[C@H](C=O)O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2R,3R)-3-hydroxy-2,4-bis[tri(propan-2-yl)silyloxy]butanal?
The InChIKey is VWLZJMUTEROJON-YADHBBJMSA-N. The full InChI is InChI=1S/C22H48O4Si2/c1-15(2)27(16(3)4,17(5)6)25-14-21(24)22(13-23)26-28(18(7)8,19(9)10)20(11)12/h13,15-22,24H,14H2,1-12H3/t21-,22+/m1/s1.
What are the key properties of (2R,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 has a molecular weight of 432.79 g/mol, XLogP of 6.30, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-hydroxy-2,4-bis[tri(propan-2-yl)silyloxy]butanal is sourced from PubChem (CID 56963714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).