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

C18H40O3Si2 — CID 101425651

IUPAC(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal
SMILESC[C@H](C=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O3Si2/c1-14(13-19)16(21-23(11,12)18(6,7)8)15(2)20-22(9,10)17(3,4)5/h13-16H,1-12H3/t14-,15-,16+/m1/s1
InChIKeyVEHNZQDSHQTHQD-OAGGEKHMSA-N
MW360.69 g/mol
LogP5.62
Rot. Bonds7

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

(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal (PubChem CID 101425651) has the molecular formula C18H40O3Si2 and a molecular weight of 360.69 g/mol. Its IUPAC name is (2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal.

Molecular Properties

Compound Name(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal
PubChem CID101425651
Molecular FormulaC18H40O3Si2
Molecular Weight360.69 g/mol
Exact Mass360.25
IUPAC Name(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal
SMILESC[C@H](C=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O3Si2/c1-14(13-19)16(21-23(11,12)18(6,7)8)15(2)20-22(9,10)17(3,4)5/h13-16H,1-12H3/t14-,15-,16+/m1/s1
InChIKeyVEHNZQDSHQTHQD-OAGGEKHMSA-N
XLogP5.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.69
LogP ≤ 55.62
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'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal?
The IUPAC name of (2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal (CID 101425651) is (2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal.
What is the SMILES notation for (2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal?
The canonical SMILES for (2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal is C[C@H](C=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal?
The InChIKey is VEHNZQDSHQTHQD-OAGGEKHMSA-N. The full InChI is InChI=1S/C18H40O3Si2/c1-14(13-19)16(21-23(11,12)18(6,7)8)15(2)20-22(9,10)17(3,4)5/h13-16H,1-12H3/t14-,15-,16+/m1/s1.
What are the key properties of (2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal?
(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal has a molecular weight of 360.69 g/mol, XLogP of 5.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal is sourced from PubChem (CID 101425651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).