methyl (E)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-10-(oxan-2-yloxy)dec-8-enoate

C24H42O6Si — CID 10456660

IUPACmethyl (E)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-10-(oxan-2-yloxy)dec-8-enoate
SMILESCCOC(=C=C(CCC(=O)OC)CCC(C)/C=C/COC1CCCCO1)O[Si](C)(C)C
InChIInChI=1S/C24H42O6Si/c1-7-27-24(30-31(4,5)6)19-21(15-16-22(25)26-3)14-13-20(2)11-10-18-29-23-12-8-9-17-28-23/h10-11,20,23H,7-9,12-18H2,1-6H3/b11-10+
InChIKeyDPUBNEGOOMNKQE-ZHACJKMWSA-N
MW454.68 g/mol
LogP5.71
Rot. Bonds14

About methyl (E)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-10-(oxan-2-yloxy)dec-8-enoate

methyl (E)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-10-(oxan-2-yloxy)dec-8-enoate (PubChem CID 10456660) has the molecular formula C24H42O6Si and a molecular weight of 454.68 g/mol. Its IUPAC name is methyl (E)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-10-(oxan-2-yloxy)dec-8-enoate.

Molecular Properties

Compound Namemethyl (E)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-10-(oxan-2-yloxy)dec-8-enoate
PubChem CID10456660
Molecular FormulaC24H42O6Si
Molecular Weight454.68 g/mol
Exact Mass454.28
IUPAC Namemethyl (E)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-10-(oxan-2-yloxy)dec-8-enoate
SMILESCCOC(=C=C(CCC(=O)OC)CCC(C)/C=C/COC1CCCCO1)O[Si](C)(C)C
InChIInChI=1S/C24H42O6Si/c1-7-27-24(30-31(4,5)6)19-21(15-16-22(25)26-3)14-13-20(2)11-10-18-29-23-12-8-9-17-28-23/h10-11,20,23H,7-9,12-18H2,1-6H3/b11-10+
InChIKeyDPUBNEGOOMNKQE-ZHACJKMWSA-N
XLogP5.71
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.68
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 7-[(3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-2-yloxy)cyclopenten-1-yl]heptanoate
CID 70435737
4-[(2R,4S,5E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2-methoxyoxan-4-yl]butan-2-one
CID 10688693
methyl (E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methyl-8-(oxan-2-yloxy)-3-oxooct-6-enoate
CID 11134255

Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-10-(oxan-2-yloxy)dec-8-enoate?
The IUPAC name of methyl (E)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-10-(oxan-2-yloxy)dec-8-enoate (CID 10456660) is methyl (E)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-10-(oxan-2-yloxy)dec-8-enoate.
What is the SMILES notation for methyl (E)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-10-(oxan-2-yloxy)dec-8-enoate?
The canonical SMILES for methyl (E)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-10-(oxan-2-yloxy)dec-8-enoate is CCOC(=C=C(CCC(=O)OC)CCC(C)/C=C/COC1CCCCO1)O[Si](C)(C)C.
What is the InChIKey of methyl (E)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-10-(oxan-2-yloxy)dec-8-enoate?
The InChIKey is DPUBNEGOOMNKQE-ZHACJKMWSA-N. The full InChI is InChI=1S/C24H42O6Si/c1-7-27-24(30-31(4,5)6)19-21(15-16-22(25)26-3)14-13-20(2)11-10-18-29-23-12-8-9-17-28-23/h10-11,20,23H,7-9,12-18H2,1-6H3/b11-10+.
What are the key properties of methyl (E)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-10-(oxan-2-yloxy)dec-8-enoate?
methyl (E)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-10-(oxan-2-yloxy)dec-8-enoate has a molecular weight of 454.68 g/mol, XLogP of 5.71, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-10-(oxan-2-yloxy)dec-8-enoate is sourced from PubChem (CID 10456660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).