methyl (2Z,4E)-5,9-dimethyl-2-(1-trimethylsilyloxyethylidene)deca-4,8-dienoate

C18H32O3Si — CID 11834317

IUPACmethyl (2Z,4E)-5,9-dimethyl-2-(1-trimethylsilyloxyethylidene)deca-4,8-dienoate
SMILESCOC(=O)/C(C/C=C(\C)CCC=C(C)C)=C(/C)O[Si](C)(C)C
InChIInChI=1S/C18H32O3Si/c1-14(2)10-9-11-15(3)12-13-17(18(19)20-5)16(4)21-22(6,7)8/h10,12H,9,11,13H2,1-8H3/b15-12+,17-16-
InChIKeyQGTTZSLUUQVYAR-BUZNKOHXSA-N
MW324.54 g/mol
LogP5.37
Rot. Bonds8

About methyl (2Z,4E)-5,9-dimethyl-2-(1-trimethylsilyloxyethylidene)deca-4,8-dienoate

methyl (2Z,4E)-5,9-dimethyl-2-(1-trimethylsilyloxyethylidene)deca-4,8-dienoate (PubChem CID 11834317) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is methyl (2Z,4E)-5,9-dimethyl-2-(1-trimethylsilyloxyethylidene)deca-4,8-dienoate.

Molecular Properties

Compound Namemethyl (2Z,4E)-5,9-dimethyl-2-(1-trimethylsilyloxyethylidene)deca-4,8-dienoate
PubChem CID11834317
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Namemethyl (2Z,4E)-5,9-dimethyl-2-(1-trimethylsilyloxyethylidene)deca-4,8-dienoate
SMILESCOC(=O)/C(C/C=C(\C)CCC=C(C)C)=C(/C)O[Si](C)(C)C
InChIInChI=1S/C18H32O3Si/c1-14(2)10-9-11-15(3)12-13-17(18(19)20-5)16(4)21-22(6,7)8/h10,12H,9,11,13H2,1-8H3/b15-12+,17-16-
InChIKeyQGTTZSLUUQVYAR-BUZNKOHXSA-N
XLogP5.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.54
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2Z,4E)-5,9-dimethyl-2-(1-trimethylsilyloxyethylidene)deca-4,8-dienoate?
The IUPAC name of methyl (2Z,4E)-5,9-dimethyl-2-(1-trimethylsilyloxyethylidene)deca-4,8-dienoate (CID 11834317) is methyl (2Z,4E)-5,9-dimethyl-2-(1-trimethylsilyloxyethylidene)deca-4,8-dienoate.
What is the SMILES notation for methyl (2Z,4E)-5,9-dimethyl-2-(1-trimethylsilyloxyethylidene)deca-4,8-dienoate?
The canonical SMILES for methyl (2Z,4E)-5,9-dimethyl-2-(1-trimethylsilyloxyethylidene)deca-4,8-dienoate is COC(=O)/C(C/C=C(\C)CCC=C(C)C)=C(/C)O[Si](C)(C)C.
What is the InChIKey of methyl (2Z,4E)-5,9-dimethyl-2-(1-trimethylsilyloxyethylidene)deca-4,8-dienoate?
The InChIKey is QGTTZSLUUQVYAR-BUZNKOHXSA-N. The full InChI is InChI=1S/C18H32O3Si/c1-14(2)10-9-11-15(3)12-13-17(18(19)20-5)16(4)21-22(6,7)8/h10,12H,9,11,13H2,1-8H3/b15-12+,17-16-.
What are the key properties of methyl (2Z,4E)-5,9-dimethyl-2-(1-trimethylsilyloxyethylidene)deca-4,8-dienoate?
methyl (2Z,4E)-5,9-dimethyl-2-(1-trimethylsilyloxyethylidene)deca-4,8-dienoate has a molecular weight of 324.54 g/mol, XLogP of 5.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z,4E)-5,9-dimethyl-2-(1-trimethylsilyloxyethylidene)deca-4,8-dienoate is sourced from PubChem (CID 11834317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).