tert-butyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxodeca-6,8-dienoate

C20H36O4Si — CID 11036003

IUPACtert-butyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxodeca-6,8-dienoate
SMILESC/C=C/C=C/C(CC(=O)CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O4Si/c1-10-11-12-13-17(24-25(8,9)20(5,6)7)14-16(21)15-18(22)23-19(2,3)4/h10-13,17H,14-15H2,1-9H3/b11-10+,13-12+
InChIKeyAQARSWDRLUVYBY-AQASXUMVSA-N
MW368.59 g/mol
LogP5.20
Rot. Bonds8

About tert-butyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxodeca-6,8-dienoate

tert-butyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxodeca-6,8-dienoate (PubChem CID 11036003) has the molecular formula C20H36O4Si and a molecular weight of 368.59 g/mol. Its IUPAC name is tert-butyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxodeca-6,8-dienoate.

Molecular Properties

Compound Nametert-butyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxodeca-6,8-dienoate
PubChem CID11036003
Molecular FormulaC20H36O4Si
Molecular Weight368.59 g/mol
Exact Mass368.24
IUPAC Nametert-butyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxodeca-6,8-dienoate
SMILESC/C=C/C=C/C(CC(=O)CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O4Si/c1-10-11-12-13-17(24-25(8,9)20(5,6)7)14-16(21)15-18(22)23-19(2,3)4/h10-13,17H,14-15H2,1-9H3/b11-10+,13-12+
InChIKeyAQARSWDRLUVYBY-AQASXUMVSA-N
XLogP5.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.59
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl (5S,6Z,8E,10E,12R,14Z)-5,12-bis[[tert-butyl(dimethyl)silyl]oxy]icosa-6,8,10,14-tetraenoate
CID 13798086
methyl (3S,5R,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxytetradeca-6,8-dienoate
CID 25199404
methyl (5S,6Z,8E)-9-[bis(3-methylbutan-2-yl)boranyl]-5-[tert-butyl(dimethyl)silyl]oxynona-6,8-dienoate
CID 44477967
(2R,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-propyl-2,3,6,7,8,9-hexahydrooxecin-10-one
CID 57326434
methyl (3S,5R,6E)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxynona-6,8-dienoate
CID 72948036
methyl (5S,6Z,8E,10S)-5,10,18-tris[[tert-butyl(dimethyl)silyl]oxy]octadeca-6,8-dien-12-ynoate
CID 134979328
ethyl 3-oxo-4-[(2S,6R)-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-6-yl]butanoate
CID 135014823
methyl (5S,6E,8Z,11Z,14Z,16E,18R)-5,18-bis[[tert-butyl(dimethyl)silyl]oxy]icosa-6,8,11,14,16-pentaenoate
CID 146162789
E,Z,Z-5-Hydroxyeicosa-6,8,14-trienoic acid, methyl ester, trimethylsilyl ether
CID 91696943
E,Z,E,Z-5,12-Dihydroxyeicosa-6,8,10,14-tetraenoic acid, methyl ester, bis(trimethylsilyl) ether
CID 91733271
E,Z,Z,Z-5,12-Dihydroxyeicosa-6,8,10,14-tetraenoic acid, methyl ester, bis(trimethylsilyl) ether
CID 91741286
methyl (6E,8E)-3-oxo-5-trimethylsilyloxytetradeca-6,8-dienoate
CID 20330593

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxodeca-6,8-dienoate?
The IUPAC name of tert-butyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxodeca-6,8-dienoate (CID 11036003) is tert-butyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxodeca-6,8-dienoate.
What is the SMILES notation for tert-butyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxodeca-6,8-dienoate?
The canonical SMILES for tert-butyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxodeca-6,8-dienoate is C/C=C/C=C/C(CC(=O)CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxodeca-6,8-dienoate?
The InChIKey is AQARSWDRLUVYBY-AQASXUMVSA-N. The full InChI is InChI=1S/C20H36O4Si/c1-10-11-12-13-17(24-25(8,9)20(5,6)7)14-16(21)15-18(22)23-19(2,3)4/h10-13,17H,14-15H2,1-9H3/b11-10+,13-12+.
What are the key properties of tert-butyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxodeca-6,8-dienoate?
tert-butyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxodeca-6,8-dienoate has a molecular weight of 368.59 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxodeca-6,8-dienoate is sourced from PubChem (CID 11036003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).