ethyl (Z)-6-ethoxycarbonyloxy-4-methyl-3-triethylsilyloxyhex-4-enoate

C18H34O6Si — CID 11710543

IUPACethyl (Z)-6-ethoxycarbonyloxy-4-methyl-3-triethylsilyloxyhex-4-enoate
SMILESCCOC(=O)CC(O[Si](CC)(CC)CC)/C(C)=C\COC(=O)OCC
InChIInChI=1S/C18H34O6Si/c1-7-21-17(19)14-16(24-25(9-3,10-4)11-5)15(6)12-13-23-18(20)22-8-2/h12,16H,7-11,13-14H2,1-6H3/b15-12-
InChIKeyPXPQWWVEDHNZAA-QINSGFPZSA-N
MW374.55 g/mol
LogP4.45
Rot. Bonds12

About ethyl (Z)-6-ethoxycarbonyloxy-4-methyl-3-triethylsilyloxyhex-4-enoate

ethyl (Z)-6-ethoxycarbonyloxy-4-methyl-3-triethylsilyloxyhex-4-enoate (PubChem CID 11710543) has the molecular formula C18H34O6Si and a molecular weight of 374.55 g/mol. Its IUPAC name is ethyl (Z)-6-ethoxycarbonyloxy-4-methyl-3-triethylsilyloxyhex-4-enoate.

Molecular Properties

Compound Nameethyl (Z)-6-ethoxycarbonyloxy-4-methyl-3-triethylsilyloxyhex-4-enoate
PubChem CID11710543
Molecular FormulaC18H34O6Si
Molecular Weight374.55 g/mol
Exact Mass374.21
IUPAC Nameethyl (Z)-6-ethoxycarbonyloxy-4-methyl-3-triethylsilyloxyhex-4-enoate
SMILESCCOC(=O)CC(O[Si](CC)(CC)CC)/C(C)=C\COC(=O)OCC
InChIInChI=1S/C18H34O6Si/c1-7-21-17(19)14-16(24-25(9-3,10-4)11-5)15(6)12-13-23-18(20)22-8-2/h12,16H,7-11,13-14H2,1-6H3/b15-12-
InChIKeyPXPQWWVEDHNZAA-QINSGFPZSA-N
XLogP4.45
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 54.45
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

[(2E,5E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-dienyl] acetate
CID 134971110
[(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
Tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5,9,13-trimethyltetradeca-4,8,12-trienoate
CID 57202624
tert-butyl (4E,8E)-3-[tert-butyl(dimethyl)silyl]oxy-5,9,13-trimethyltetradeca-4,8,12-trienoate
CID 139646104
dipropan-2-yl (E)-2-[1-tris(trimethylsilyloxy)silylpropyl]but-2-enedioate
CID 140395774
methyl (5Z,8Z)-9-[(4R,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxynon-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]nona-5,8-dienoate
CID 10481862
ethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-(1-ethoxyethoxy)-5,9-dimethyldeca-4,8-dienoate
CID 10599344
ethyl (Z)-6-ethoxycarbonyloxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate
CID 11502268
[(E,4R,5S)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] ethyl carbonate
CID 11603182
[(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
[(E,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooct-2-enyl] ethyl carbonate
CID 12167530

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-6-ethoxycarbonyloxy-4-methyl-3-triethylsilyloxyhex-4-enoate?
The IUPAC name of ethyl (Z)-6-ethoxycarbonyloxy-4-methyl-3-triethylsilyloxyhex-4-enoate (CID 11710543) is ethyl (Z)-6-ethoxycarbonyloxy-4-methyl-3-triethylsilyloxyhex-4-enoate.
What is the SMILES notation for ethyl (Z)-6-ethoxycarbonyloxy-4-methyl-3-triethylsilyloxyhex-4-enoate?
The canonical SMILES for ethyl (Z)-6-ethoxycarbonyloxy-4-methyl-3-triethylsilyloxyhex-4-enoate is CCOC(=O)CC(O[Si](CC)(CC)CC)/C(C)=C\COC(=O)OCC.
What is the InChIKey of ethyl (Z)-6-ethoxycarbonyloxy-4-methyl-3-triethylsilyloxyhex-4-enoate?
The InChIKey is PXPQWWVEDHNZAA-QINSGFPZSA-N. The full InChI is InChI=1S/C18H34O6Si/c1-7-21-17(19)14-16(24-25(9-3,10-4)11-5)15(6)12-13-23-18(20)22-8-2/h12,16H,7-11,13-14H2,1-6H3/b15-12-.
What are the key properties of ethyl (Z)-6-ethoxycarbonyloxy-4-methyl-3-triethylsilyloxyhex-4-enoate?
ethyl (Z)-6-ethoxycarbonyloxy-4-methyl-3-triethylsilyloxyhex-4-enoate has a molecular weight of 374.55 g/mol, XLogP of 4.45, 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-4-methyl-3-triethylsilyloxyhex-4-enoate is sourced from PubChem (CID 11710543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).