(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

C44H96O8Si4 — CID 134997517

IUPAC(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
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.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
InChIInChI=1S/2C22H48O4Si2/c2*1-15(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/h2*13,15-22,24H,14H2,1-12H3/t21-,22+;21-,22-/m00/s1
InChIKeyZVOJDUSUIYWSPP-MDPNGRSTSA-N
MW865.59 g/mol
LogP12.60
Rot. Bonds26

About (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

(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 (PubChem CID 134997517) has the molecular formula C44H96O8Si4 and a molecular weight of 865.59 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID134997517
Molecular FormulaC44H96O8Si4
Molecular Weight865.59 g/mol
Exact Mass864.62
IUPAC Name(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
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.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
InChIInChI=1S/2C22H48O4Si2/c2*1-15(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/h2*13,15-22,24H,14H2,1-12H3/t21-,22+;21-,22-/m00/s1
InChIKeyZVOJDUSUIYWSPP-MDPNGRSTSA-N
XLogP12.60
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds26
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.59
LogP ≤ 512.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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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)-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
(2R,3S)-2-[butyl(dimethyl)silyl]oxy-3,4-dihydroxybutanal
CID 87864203
(2R,3R)-3-[tert-butyl(dimethyl)silyl]peroxy-2,4-dihydroxybutanal
CID 140314385
(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal;(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol
CID 162209214
2,3-Dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanal
CID 173017437
(2R,3R)-3-hydroxy-2,4-bis[tri(propan-2-yl)silyloxy]butanal
CID 56963714
(2R,3S)-3-hydroxy-2,4-bis[tri(propan-2-yl)silyloxy]butanal
CID 134997518

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 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.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 (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?
The InChIKey is ZVOJDUSUIYWSPP-MDPNGRSTSA-N. The full InChI is InChI=1S/2C22H48O4Si2/c2*1-15(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/h2*13,15-22,24H,14H2,1-12H3/t21-,22+;21-,22-/m00/s1.
What are the key properties of (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?
(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 has a molecular weight of 865.59 g/mol, XLogP of 12.60, 26 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 134997517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).