ethyl (2E,4E,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-9-oxodeca-2,4-dienoate

C20H36O4Si — CID 139252199

IUPACethyl (2E,4E,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-9-oxodeca-2,4-dienoate
SMILESCCOC(=O)/C=C/C(C)=C/[C@@H](C)[C@@H](CC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O4Si/c1-10-23-19(22)12-11-15(2)13-16(3)18(14-17(4)21)24-25(8,9)20(5,6)7/h11-13,16,18H,10,14H2,1-9H3/b12-11+,15-13+/t16-,18-/m1/s1
InChIKeyFDTKXHIRUOAOHF-OOGNNFAGSA-N
MW368.59 g/mol
LogP5.06
Rot. Bonds9

About ethyl (2E,4E,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-9-oxodeca-2,4-dienoate

ethyl (2E,4E,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-9-oxodeca-2,4-dienoate (PubChem CID 139252199) has the molecular formula C20H36O4Si and a molecular weight of 368.59 g/mol. Its IUPAC name is ethyl (2E,4E,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-9-oxodeca-2,4-dienoate.

Molecular Properties

Compound Nameethyl (2E,4E,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-9-oxodeca-2,4-dienoate
PubChem CID139252199
Molecular FormulaC20H36O4Si
Molecular Weight368.59 g/mol
Exact Mass368.24
IUPAC Nameethyl (2E,4E,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-9-oxodeca-2,4-dienoate
SMILESCCOC(=O)/C=C/C(C)=C/[C@@H](C)[C@@H](CC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O4Si/c1-10-23-19(22)12-11-15(2)13-16(3)18(14-17(4)21)24-25(8,9)20(5,6)7/h11-13,16,18H,10,14H2,1-9H3/b12-11+,15-13+/t16-,18-/m1/s1
InChIKeyFDTKXHIRUOAOHF-OOGNNFAGSA-N
XLogP5.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.59
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2E,4S,5S,6R,8E,10E)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyldodeca-2,8,10-trienoate
CID 71546755
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 (2E,4E,8E,10E,14S)-7-[tert-butyl(dimethyl)silyl]oxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate
CID 10645825
ethyl (2Z,4E,6R,7S)-7,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylnona-2,4-dienoate
CID 11619467
methyl (2E,4E,8E,10E,14S)-8,14-dimethyl-7-triethylsilyloxyhexadeca-2,4,8,10-tetraenoate
CID 11729487
tert-butyl (E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-7-oxohept-2-enoate
CID 15384703
(3R,4S,5S,7E,9R,10S,11R,12E,14R)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-14-ethyl-3,5,9,11,13-pentamethyl-1-oxacyclotetradeca-7,12-diene-2,6-dione
CID 15602517
ethyl (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylundeca-2,8,10-trienoate
CID 24886407
(2S)-2-[(2R)-6-oxo-5-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-2-yl]propanal
CID 44254821
(2R)-2-[(1E,3Z,5R,7E,9E,11R,13S,14R,15S)-14-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-5,9,11,13,15-pentamethyl-12-oxoheptadeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one
CID 101187369
[(2S,4Z,6R)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-8-oxo-2,3,6,7-tetrahydrooxocin-6-yl] acetate
CID 101340982

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4E,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-9-oxodeca-2,4-dienoate?
The IUPAC name of ethyl (2E,4E,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-9-oxodeca-2,4-dienoate (CID 139252199) is ethyl (2E,4E,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-9-oxodeca-2,4-dienoate.
What is the SMILES notation for ethyl (2E,4E,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-9-oxodeca-2,4-dienoate?
The canonical SMILES for ethyl (2E,4E,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-9-oxodeca-2,4-dienoate is CCOC(=O)/C=C/C(C)=C/[C@@H](C)[C@@H](CC(C)=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2E,4E,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-9-oxodeca-2,4-dienoate?
The InChIKey is FDTKXHIRUOAOHF-OOGNNFAGSA-N. The full InChI is InChI=1S/C20H36O4Si/c1-10-23-19(22)12-11-15(2)13-16(3)18(14-17(4)21)24-25(8,9)20(5,6)7/h11-13,16,18H,10,14H2,1-9H3/b12-11+,15-13+/t16-,18-/m1/s1.
What are the key properties of ethyl (2E,4E,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-9-oxodeca-2,4-dienoate?
ethyl (2E,4E,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-9-oxodeca-2,4-dienoate has a molecular weight of 368.59 g/mol, XLogP of 5.06, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4E,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-9-oxodeca-2,4-dienoate is sourced from PubChem (CID 139252199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).