ethyl (2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoate

C20H38O3Si — CID 139252212

IUPACethyl (2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoate
SMILESC=C[C@H](CCC/C=C/C(=O)OCC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H38O3Si/c1-9-19(14-12-11-13-15-20(21)22-10-2)23-24(16(3)4,17(5)6)18(7)8/h9,13,15-19H,1,10-12,14H2,2-8H3/b15-13+/t19-/m1/s1
InChIKeyCLAAJOAPDAZTHZ-OCKXMSAZSA-N
MW354.61 g/mol
LogP6.02
Rot. Bonds12

About ethyl (2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoate

ethyl (2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoate (PubChem CID 139252212) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is ethyl (2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoate.

Molecular Properties

Compound Nameethyl (2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoate
PubChem CID139252212
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Nameethyl (2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoate
SMILESC=C[C@H](CCC/C=C/C(=O)OCC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H38O3Si/c1-9-19(14-12-11-13-15-20(21)22-10-2)23-24(16(3)4,17(5)6)18(7)8/h9,13,15-19H,1,10-12,14H2,2-8H3/b15-13+/t19-/m1/s1
InChIKeyCLAAJOAPDAZTHZ-OCKXMSAZSA-N
XLogP6.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-6-trimethylsilyloxyhex-2-enoate
CID 15947845
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
(E)-ethyl 6-(tert-butyldimethylsilyloxy)hex-2-enoate
CID 10826090
(1S,4R)-1-Acetoxy-4-(tert-butyldimethylsilanyloxy)-2-cyclohexene
CID 10978542
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
Fumaric acid, 4-octyl dodec-2-en-1-yl ester
CID 91701338

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoate?
The IUPAC name of ethyl (2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoate (CID 139252212) is ethyl (2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoate.
What is the SMILES notation for ethyl (2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoate?
The canonical SMILES for ethyl (2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoate is C=C[C@H](CCC/C=C/C(=O)OCC)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of ethyl (2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoate?
The InChIKey is CLAAJOAPDAZTHZ-OCKXMSAZSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-9-19(14-12-11-13-15-20(21)22-10-2)23-24(16(3)4,17(5)6)18(7)8/h9,13,15-19H,1,10-12,14H2,2-8H3/b15-13+/t19-/m1/s1.
What are the key properties of ethyl (2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoate?
ethyl (2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoate has a molecular weight of 354.61 g/mol, XLogP of 6.02, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoate is sourced from PubChem (CID 139252212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).