diethyl (2Z,9Z)-6-[tert-butyl(dimethyl)silyl]oxyundeca-2,9-dienedioate

C21H38O5Si — CID 135073113

IUPACdiethyl (2Z,9Z)-6-[tert-butyl(dimethyl)silyl]oxyundeca-2,9-dienedioate
SMILESCCOC(=O)/C=C\CCC(CC/C=C\C(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38O5Si/c1-8-24-19(22)16-12-10-14-18(26-27(6,7)21(3,4)5)15-11-13-17-20(23)25-9-2/h12-13,16-18H,8-11,14-15H2,1-7H3/b16-12-,17-13-
InChIKeyWDBIHLNLBZIKOR-MCOFMCJXSA-N
MW398.62 g/mol
LogP5.18
Rot. Bonds12

About diethyl (2Z,9Z)-6-[tert-butyl(dimethyl)silyl]oxyundeca-2,9-dienedioate

diethyl (2Z,9Z)-6-[tert-butyl(dimethyl)silyl]oxyundeca-2,9-dienedioate (PubChem CID 135073113) has the molecular formula C21H38O5Si and a molecular weight of 398.62 g/mol. Its IUPAC name is diethyl (2Z,9Z)-6-[tert-butyl(dimethyl)silyl]oxyundeca-2,9-dienedioate.

Molecular Properties

Compound Namediethyl (2Z,9Z)-6-[tert-butyl(dimethyl)silyl]oxyundeca-2,9-dienedioate
PubChem CID135073113
Molecular FormulaC21H38O5Si
Molecular Weight398.62 g/mol
Exact Mass398.25
IUPAC Namediethyl (2Z,9Z)-6-[tert-butyl(dimethyl)silyl]oxyundeca-2,9-dienedioate
SMILESCCOC(=O)/C=C\CCC(CC/C=C\C(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38O5Si/c1-8-24-19(22)16-12-10-14-18(26-27(6,7)21(3,4)5)15-11-13-17-20(23)25-9-2/h12-13,16-18H,8-11,14-15H2,1-7H3/b16-12-,17-13-
InChIKeyWDBIHLNLBZIKOR-MCOFMCJXSA-N
XLogP5.18
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.62
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze diethyl (2Z,9Z)-6-[tert-butyl(dimethyl)silyl]oxyundeca-2,9-dienedioate with MolForge

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Related Compounds

methyl (E)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-enoate
CID 44397378
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
(E)-ethyl 6-(tert-butyldimethylsilyloxy)hex-2-enoate
CID 10826090
Methyl (2E)-7-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-heptenoate
CID 11208037
tert-butyl (2E,4E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylnona-2,4-dienoate
CID 11824407
(E)-tert-Butyl 11-(tert-butyldimethylsilyloxy)-2-undecenoate
CID 24859311
ethyl (2E,4S,5S,6R,8E,10E)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyldodeca-2,8,10-trienoate
CID 71546755
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 (E)-3-[(2R,3S,4E)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2-ethoxy-2-oxoethylidene)oxan-2-yl]prop-2-enoate
CID 15934809
Ethyl 12,12,12-trifluoro-11-methyl-11-triethylsilyloxydodeca-2,9-dienoate
CID 141012783
Fumaric acid, 2-pentyl dodec-2-en-1-yl ester
CID 91701336

Frequently Asked Questions

What is the IUPAC name of diethyl (2Z,9Z)-6-[tert-butyl(dimethyl)silyl]oxyundeca-2,9-dienedioate?
The IUPAC name of diethyl (2Z,9Z)-6-[tert-butyl(dimethyl)silyl]oxyundeca-2,9-dienedioate (CID 135073113) is diethyl (2Z,9Z)-6-[tert-butyl(dimethyl)silyl]oxyundeca-2,9-dienedioate.
What is the SMILES notation for diethyl (2Z,9Z)-6-[tert-butyl(dimethyl)silyl]oxyundeca-2,9-dienedioate?
The canonical SMILES for diethyl (2Z,9Z)-6-[tert-butyl(dimethyl)silyl]oxyundeca-2,9-dienedioate is CCOC(=O)/C=C\CCC(CC/C=C\C(=O)OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of diethyl (2Z,9Z)-6-[tert-butyl(dimethyl)silyl]oxyundeca-2,9-dienedioate?
The InChIKey is WDBIHLNLBZIKOR-MCOFMCJXSA-N. The full InChI is InChI=1S/C21H38O5Si/c1-8-24-19(22)16-12-10-14-18(26-27(6,7)21(3,4)5)15-11-13-17-20(23)25-9-2/h12-13,16-18H,8-11,14-15H2,1-7H3/b16-12-,17-13-.
What are the key properties of diethyl (2Z,9Z)-6-[tert-butyl(dimethyl)silyl]oxyundeca-2,9-dienedioate?
diethyl (2Z,9Z)-6-[tert-butyl(dimethyl)silyl]oxyundeca-2,9-dienedioate has a molecular weight of 398.62 g/mol, XLogP of 5.18, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2Z,9Z)-6-[tert-butyl(dimethyl)silyl]oxyundeca-2,9-dienedioate is sourced from PubChem (CID 135073113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).