2-trimethylsilylethyl (E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohex-4-enoate

C19H38O4Si2 — CID 11069114

IUPAC2-trimethylsilylethyl (E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohex-4-enoate
SMILESC/C(=C\C=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C19H38O4Si2/c1-15(11-12-20)17(23-25(9,10)19(3,4)5)16(2)18(21)22-13-14-24(6,7)8/h11-12,16-17H,13-14H2,1-10H3/b15-11+/t16-,17-/m0/s1
InChIKeyIQQOYLXTMJTGJW-JBAYFQIUSA-N
MW386.68 g/mol
LogP5.04
Rot. Bonds9

About 2-trimethylsilylethyl (E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohex-4-enoate

2-trimethylsilylethyl (E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohex-4-enoate (PubChem CID 11069114) has the molecular formula C19H38O4Si2 and a molecular weight of 386.68 g/mol. Its IUPAC name is 2-trimethylsilylethyl (E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohex-4-enoate.

Molecular Properties

Compound Name2-trimethylsilylethyl (E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohex-4-enoate
PubChem CID11069114
Molecular FormulaC19H38O4Si2
Molecular Weight386.68 g/mol
Exact Mass386.23
IUPAC Name2-trimethylsilylethyl (E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohex-4-enoate
SMILESC/C(=C\C=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C19H38O4Si2/c1-15(11-12-20)17(23-25(9,10)19(3,4)5)16(2)18(21)22-13-14-24(6,7)8/h11-12,16-17H,13-14H2,1-10H3/b15-11+/t16-,17-/m0/s1
InChIKeyIQQOYLXTMJTGJW-JBAYFQIUSA-N
XLogP5.04
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.68
LogP ≤ 55.04
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl (E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohex-4-enoate?
The IUPAC name of 2-trimethylsilylethyl (E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohex-4-enoate (CID 11069114) is 2-trimethylsilylethyl (E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohex-4-enoate.
What is the SMILES notation for 2-trimethylsilylethyl (E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohex-4-enoate?
The canonical SMILES for 2-trimethylsilylethyl (E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohex-4-enoate is C/C(=C\C=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl (E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohex-4-enoate?
The InChIKey is IQQOYLXTMJTGJW-JBAYFQIUSA-N. The full InChI is InChI=1S/C19H38O4Si2/c1-15(11-12-20)17(23-25(9,10)19(3,4)5)16(2)18(21)22-13-14-24(6,7)8/h11-12,16-17H,13-14H2,1-10H3/b15-11+/t16-,17-/m0/s1.
What are the key properties of 2-trimethylsilylethyl (E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohex-4-enoate?
2-trimethylsilylethyl (E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohex-4-enoate has a molecular weight of 386.68 g/mol, XLogP of 5.04, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl (E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohex-4-enoate is sourced from PubChem (CID 11069114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).