(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-3-methylbutanal

C13H28O4Si — CID 134859524

IUPAC(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-3-methylbutanal
SMILESCOCO[C@H](C=O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O4Si/c1-11(12(8-14)16-10-15-5)9-17-18(6,7)13(2,3)4/h8,11-12H,9-10H2,1-7H3/t11-,12+/m0/s1
InChIKeyKDDUOONTTKAUHT-NWDGAFQWSA-N
MW276.45 g/mol
LogP2.83
Rot. Bonds8

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

(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-3-methylbutanal (PubChem CID 134859524) has the molecular formula C13H28O4Si and a molecular weight of 276.45 g/mol. Its IUPAC name is (2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-3-methylbutanal.

Molecular Properties

Compound Name(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-3-methylbutanal
PubChem CID134859524
Molecular FormulaC13H28O4Si
Molecular Weight276.45 g/mol
Exact Mass276.18
IUPAC Name(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-3-methylbutanal
SMILESCOCO[C@H](C=O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O4Si/c1-11(12(8-14)16-10-15-5)9-17-18(6,7)13(2,3)4/h8,11-12H,9-10H2,1-7H3/t11-,12+/m0/s1
InChIKeyKDDUOONTTKAUHT-NWDGAFQWSA-N
XLogP2.83
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-3-methylbutanal?
The IUPAC name of (2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-3-methylbutanal (CID 134859524) is (2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-3-methylbutanal.
What is the SMILES notation for (2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-3-methylbutanal?
The canonical SMILES for (2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-3-methylbutanal is COCO[C@H](C=O)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-3-methylbutanal?
The InChIKey is KDDUOONTTKAUHT-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H28O4Si/c1-11(12(8-14)16-10-15-5)9-17-18(6,7)13(2,3)4/h8,11-12H,9-10H2,1-7H3/t11-,12+/m0/s1.
What are the key properties of (2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-3-methylbutanal?
(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-3-methylbutanal has a molecular weight of 276.45 g/mol, XLogP of 2.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-3-methylbutanal is sourced from PubChem (CID 134859524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).