[(E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooct-2-enyl] ethyl carbonate

C19H36O5Si — CID 11749098

IUPAC[(E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooct-2-enyl] ethyl carbonate
SMILESCCOC(=O)OC/C=C(\C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)CC
InChIInChI=1S/C19H36O5Si/c1-10-16(20)15(4)17(24-25(8,9)19(5,6)7)14(3)12-13-23-18(21)22-11-2/h12,15,17H,10-11,13H2,1-9H3/b14-12+/t15-,17+/m1/s1
InChIKeyQEFZFJAKEIVZCS-UVTURKTISA-N
MW372.58 g/mol
LogP5.11
Rot. Bonds9

About [(E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooct-2-enyl] ethyl carbonate

[(E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooct-2-enyl] ethyl carbonate (PubChem CID 11749098) has the molecular formula C19H36O5Si and a molecular weight of 372.58 g/mol. Its IUPAC name is [(E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooct-2-enyl] ethyl carbonate.

Molecular Properties

Compound Name[(E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooct-2-enyl] ethyl carbonate
PubChem CID11749098
Molecular FormulaC19H36O5Si
Molecular Weight372.58 g/mol
Exact Mass372.23
IUPAC Name[(E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooct-2-enyl] ethyl carbonate
SMILESCCOC(=O)OC/C=C(\C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)CC
InChIInChI=1S/C19H36O5Si/c1-10-16(20)15(4)17(24-25(8,9)19(5,6)7)14(3)12-13-23-18(21)22-11-2/h12,15,17H,10-11,13H2,1-9H3/b14-12+/t15-,17+/m1/s1
InChIKeyQEFZFJAKEIVZCS-UVTURKTISA-N
XLogP5.11
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.58
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooct-2-enyl] ethyl carbonate with MolForge

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Related Compounds

methyl (2E,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyl-5-oxodeca-2,8-dienoate
CID 11245607
methyl (2E,6R,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyl-5-oxodeca-2,8-dienoate
CID 11280117
methyl (E,2S,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-10-methylidene-7-oxododec-4-enoate
CID 10477470
(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnon-6-en-3-one
CID 11472059
tert-butyl [(1S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxocyclohex-2-en-1-yl] carbonate
CID 59002621
(6R,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-one
CID 140765680
(6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-one
CID 140765681
(6S,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-one
CID 140765696
methyl (2E,6S,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyl-5-oxodeca-2,8-dienoate
CID 173665165
(6E,10E,12S,13R)-13-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-12,15-bis(methoxymethoxy)-6,10-dimethylpentadeca-6,10-dien-2-one
CID 10007147
methyl (E,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-10-methylidene-7-oxododec-4-enoate
CID 10093867
(E,2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-8-(1-ethoxyethoxy)-2,4,6-trimethyloct-6-enal
CID 10992687

Frequently Asked Questions

What is the IUPAC name of [(E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooct-2-enyl] ethyl carbonate?
The IUPAC name of [(E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooct-2-enyl] ethyl carbonate (CID 11749098) is [(E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooct-2-enyl] ethyl carbonate.
What is the SMILES notation for [(E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooct-2-enyl] ethyl carbonate?
The canonical SMILES for [(E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooct-2-enyl] ethyl carbonate is CCOC(=O)OC/C=C(\C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)CC.
What is the InChIKey of [(E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooct-2-enyl] ethyl carbonate?
The InChIKey is QEFZFJAKEIVZCS-UVTURKTISA-N. The full InChI is InChI=1S/C19H36O5Si/c1-10-16(20)15(4)17(24-25(8,9)19(5,6)7)14(3)12-13-23-18(21)22-11-2/h12,15,17H,10-11,13H2,1-9H3/b14-12+/t15-,17+/m1/s1.
What are the key properties of [(E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooct-2-enyl] ethyl carbonate?
[(E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooct-2-enyl] ethyl carbonate has a molecular weight of 372.58 g/mol, XLogP of 5.11, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooct-2-enyl] ethyl carbonate is sourced from PubChem (CID 11749098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).