[(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate

C19H34O3Si — CID 134946270

IUPAC[(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate
SMILESCC/C=C\CC(/C=C/C=C\CO[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C19H34O3Si/c1-8-9-11-14-18(22-17(2)20)15-12-10-13-16-21-23(6,7)19(3,4)5/h9-13,15,18H,8,14,16H2,1-7H3/b11-9-,13-10-,15-12+
InChIKeyWNCWZQSQXXMQJT-WGOCYXPCSA-N
MW338.56 g/mol
LogP5.41
Rot. Bonds9

About [(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate

[(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate (PubChem CID 134946270) has the molecular formula C19H34O3Si and a molecular weight of 338.56 g/mol. Its IUPAC name is [(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate.

Molecular Properties

Compound Name[(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate
PubChem CID134946270
Molecular FormulaC19H34O3Si
Molecular Weight338.56 g/mol
Exact Mass338.23
IUPAC Name[(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate
SMILESCC/C=C\CC(/C=C/C=C\CO[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C19H34O3Si/c1-8-9-11-14-18(22-17(2)20)15-12-10-13-16-21-23(6,7)19(3,4)5/h9-13,15,18H,8,14,16H2,1-7H3/b11-9-,13-10-,15-12+
InChIKeyWNCWZQSQXXMQJT-WGOCYXPCSA-N
XLogP5.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.56
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate?
The IUPAC name of [(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate (CID 134946270) is [(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate.
What is the SMILES notation for [(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate?
The canonical SMILES for [(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate is CC/C=C\CC(/C=C/C=C\CO[Si](C)(C)C(C)(C)C)OC(C)=O.
What is the InChIKey of [(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate?
The InChIKey is WNCWZQSQXXMQJT-WGOCYXPCSA-N. The full InChI is InChI=1S/C19H34O3Si/c1-8-9-11-14-18(22-17(2)20)15-12-10-13-16-21-23(6,7)19(3,4)5/h9-13,15,18H,8,14,16H2,1-7H3/b11-9-,13-10-,15-12+.
What are the key properties of [(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate?
[(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate has a molecular weight of 338.56 g/mol, XLogP of 5.41, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate is sourced from PubChem (CID 134946270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).