(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal;(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol

C30H70O6Si4 — CID 162209214

IUPAC(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal;(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H](C=O)O[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)OC[C@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H36O3Si2.C15H34O3Si2/c2*1-14(2,3)19(7,8)17-12-13(11-16)18-20(9,10)15(4,5)6/h13,16H,11-12H2,1-10H3;11,13H,12H2,1-10H3/t2*13-/m00/s1
InChIKeyZSPOQEWDEJSPSW-CHNGVTQJSA-N
MW639.23 g/mol
LogP8.99
Rot. Bonds12

About (2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal;(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol

(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal;(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol (PubChem CID 162209214) has the molecular formula C30H70O6Si4 and a molecular weight of 639.23 g/mol. Its IUPAC name is (2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal;(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol.

Molecular Properties

Compound Name(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal;(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol
PubChem CID162209214
Molecular FormulaC30H70O6Si4
Molecular Weight639.23 g/mol
Exact Mass638.42
IUPAC Name(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal;(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H](C=O)O[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)OC[C@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H36O3Si2.C15H34O3Si2/c2*1-14(2,3)19(7,8)17-12-13(11-16)18-20(9,10)15(4,5)6/h13,16H,11-12H2,1-10H3;11,13H,12H2,1-10H3/t2*13-/m00/s1
InChIKeyZSPOQEWDEJSPSW-CHNGVTQJSA-N
XLogP8.99
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.23
LogP ≤ 58.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
Glyceric acid, bis-TBDMS
CID 91752630
(2R,3S)-2-[butyl(dimethyl)silyl]oxy-3,4-dihydroxybutanal
CID 87864203
3-[Tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanal
CID 91569808
(2R,3R)-3-[tert-butyl(dimethyl)silyl]peroxy-2,4-dihydroxybutanal
CID 140314385
3-[Tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropanal;3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropan-1-ol
CID 157723598
(3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-one;(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanal;(3S)-3-hydroxybutan-2-one
CID 167626649

Frequently Asked Questions

What is the IUPAC name of (2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal;(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol?
The IUPAC name of (2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal;(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol (CID 162209214) is (2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal;(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol.
What is the SMILES notation for (2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal;(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol?
The canonical SMILES for (2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal;(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol is CC(C)(C)[Si](C)(C)OC[C@H](C=O)O[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)OC[C@H](CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal;(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol?
The InChIKey is ZSPOQEWDEJSPSW-CHNGVTQJSA-N. The full InChI is InChI=1S/C15H36O3Si2.C15H34O3Si2/c2*1-14(2,3)19(7,8)17-12-13(11-16)18-20(9,10)15(4,5)6/h13,16H,11-12H2,1-10H3;11,13H,12H2,1-10H3/t2*13-/m00/s1.
What are the key properties of (2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal;(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol?
(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal;(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol has a molecular weight of 639.23 g/mol, XLogP of 8.99, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal;(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-1-ol is sourced from PubChem (CID 162209214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).