ethyl (Z)-6-ethoxycarbonyloxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate

C20H38O6Si — CID 11502268

IUPACethyl (Z)-6-ethoxycarbonyloxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate
SMILESCCOC(=O)OC/C=C(/C)C(O[Si](CC)(CC)CC)C(C)(C)C(=O)OCC
InChIInChI=1S/C20H38O6Si/c1-9-23-18(21)20(7,8)17(26-27(11-3,12-4)13-5)16(6)14-15-25-19(22)24-10-2/h14,17H,9-13,15H2,1-8H3/b16-14-
InChIKeyWWXNDBFBSBBRMN-PEZBUJJGSA-N
MW402.60 g/mol
LogP5.09
Rot. Bonds12

About ethyl (Z)-6-ethoxycarbonyloxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate

ethyl (Z)-6-ethoxycarbonyloxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate (PubChem CID 11502268) has the molecular formula C20H38O6Si and a molecular weight of 402.60 g/mol. Its IUPAC name is ethyl (Z)-6-ethoxycarbonyloxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate.

Molecular Properties

Compound Nameethyl (Z)-6-ethoxycarbonyloxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate
PubChem CID11502268
Molecular FormulaC20H38O6Si
Molecular Weight402.60 g/mol
Exact Mass402.24
IUPAC Nameethyl (Z)-6-ethoxycarbonyloxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate
SMILESCCOC(=O)OC/C=C(/C)C(O[Si](CC)(CC)CC)C(C)(C)C(=O)OCC
InChIInChI=1S/C20H38O6Si/c1-9-23-18(21)20(7,8)17(26-27(11-3,12-4)13-5)16(6)14-15-25-19(22)24-10-2/h14,17H,9-13,15H2,1-8H3/b16-14-
InChIKeyWWXNDBFBSBBRMN-PEZBUJJGSA-N
XLogP5.09
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.60
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(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
ethyl (E,3R,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2,4-trimethyldodec-4-enoate
CID 10554180
ethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-(1-ethoxyethoxy)-5,9-dimethyldeca-4,8-dienoate
CID 10599344
ethyl (E,3R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,4-trimethyl-3-trimethylsilyloxydodec-4-enoate
CID 10601002
ethyl (E,3R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-2,2,4-trimethyldodec-4-enoate
CID 10812480
dimethyl 2-[(Z)-4-ethoxycarbonyloxybut-2-enyl]-2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate
CID 11069411
ethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-2,6-dimethylhept-2-enoate
CID 11111889
[(E,4R,5S)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] ethyl carbonate
CID 11603182
ethyl (Z)-6-hydroxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate
CID 11631306
ethyl (Z)-6-ethoxycarbonyloxy-4-methyl-3-triethylsilyloxyhex-4-enoate
CID 11710543
[(E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooct-2-enyl] ethyl carbonate
CID 11749098
[(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] ethyl carbonate
CID 12167526

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-6-ethoxycarbonyloxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate?
The IUPAC name of ethyl (Z)-6-ethoxycarbonyloxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate (CID 11502268) is ethyl (Z)-6-ethoxycarbonyloxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate.
What is the SMILES notation for ethyl (Z)-6-ethoxycarbonyloxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate?
The canonical SMILES for ethyl (Z)-6-ethoxycarbonyloxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate is CCOC(=O)OC/C=C(/C)C(O[Si](CC)(CC)CC)C(C)(C)C(=O)OCC.
What is the InChIKey of ethyl (Z)-6-ethoxycarbonyloxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate?
The InChIKey is WWXNDBFBSBBRMN-PEZBUJJGSA-N. The full InChI is InChI=1S/C20H38O6Si/c1-9-23-18(21)20(7,8)17(26-27(11-3,12-4)13-5)16(6)14-15-25-19(22)24-10-2/h14,17H,9-13,15H2,1-8H3/b16-14-.
What are the key properties of ethyl (Z)-6-ethoxycarbonyloxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate?
ethyl (Z)-6-ethoxycarbonyloxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate has a molecular weight of 402.60 g/mol, XLogP of 5.09, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-6-ethoxycarbonyloxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate is sourced from PubChem (CID 11502268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).