diethyl (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedioate

C24H46O6Si2 — CID 10838660

IUPACdiethyl (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedioate
SMILESCCOC(=O)/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=C/C(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H46O6Si2/c1-13-27-21(25)17-15-19(29-31(9,10)23(3,4)5)20(16-18-22(26)28-14-2)30-32(11,12)24(6,7)8/h15-20H,13-14H2,1-12H3/b17-15+,18-16+/t19-,20-/m0/s1
InChIKeyGDMVSENXIZFNJM-ZBXVFRPBSA-N
MW486.80 g/mol
LogP6.01
Rot. Bonds11

About diethyl (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedioate

diethyl (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedioate (PubChem CID 10838660) has the molecular formula C24H46O6Si2 and a molecular weight of 486.80 g/mol. Its IUPAC name is diethyl (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedioate.

Molecular Properties

Compound Namediethyl (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedioate
PubChem CID10838660
Molecular FormulaC24H46O6Si2
Molecular Weight486.80 g/mol
Exact Mass486.28
IUPAC Namediethyl (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedioate
SMILESCCOC(=O)/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=C/C(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H46O6Si2/c1-13-27-21(25)17-15-19(29-31(9,10)23(3,4)5)20(16-18-22(26)28-14-2)30-32(11,12)24(6,7)8/h15-20H,13-14H2,1-12H3/b17-15+,18-16+/t19-,20-/m0/s1
InChIKeyGDMVSENXIZFNJM-ZBXVFRPBSA-N
XLogP6.01
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.80
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze diethyl (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedioate with MolForge

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Related Compounds

ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 5468981
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6,6,6-trifluorohex-2-enoate
CID 11681414
ethyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-oxodeca-2,4,8-trienoate
CID 11186803
methyl (E)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838010
methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838011
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 134907379
[(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate
CID 134946270
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
2(5H)-Furanone, 5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-, (S)-
CID 11042497
ethyl (E,4S)-5,5-dimethyl-4-triethylsilyloxyhex-2-enoate
CID 5468978
ethyl (E,4R)-4-tri(propan-2-yl)silyloxyhex-2-enoate
CID 5468979
Ethyl-(4S,6-octadienoate
CID 5468988

Frequently Asked Questions

What is the IUPAC name of diethyl (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedioate?
The IUPAC name of diethyl (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedioate (CID 10838660) is diethyl (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedioate.
What is the SMILES notation for diethyl (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedioate?
The canonical SMILES for diethyl (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedioate is CCOC(=O)/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=C/C(=O)OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of diethyl (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedioate?
The InChIKey is GDMVSENXIZFNJM-ZBXVFRPBSA-N. The full InChI is InChI=1S/C24H46O6Si2/c1-13-27-21(25)17-15-19(29-31(9,10)23(3,4)5)20(16-18-22(26)28-14-2)30-32(11,12)24(6,7)8/h15-20H,13-14H2,1-12H3/b17-15+,18-16+/t19-,20-/m0/s1.
What are the key properties of diethyl (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedioate?
diethyl (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedioate has a molecular weight of 486.80 g/mol, XLogP of 6.01, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedioate is sourced from PubChem (CID 10838660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).