4-[[(2E,4E)-hexa-2,4-dienoxy]-dimethylsilyl]pent-4-enyl acetate

C15H26O3Si — CID 134861149

IUPAC4-[[(2E,4E)-hexa-2,4-dienoxy]-dimethylsilyl]pent-4-enyl acetate
SMILESC=C(CCCOC(C)=O)[Si](C)(C)OC/C=C/C=C/C
InChIInChI=1S/C15H26O3Si/c1-6-7-8-9-13-18-19(4,5)14(2)11-10-12-17-15(3)16/h6-9H,2,10-13H2,1,3-5H3/b7-6+,9-8+
InChIKeyRENJTRGVTFGEJZ-BLHCBFLLSA-N
MW282.46 g/mol
LogP3.78
Rot. Bonds9

About 4-[[(2E,4E)-hexa-2,4-dienoxy]-dimethylsilyl]pent-4-enyl acetate

4-[[(2E,4E)-hexa-2,4-dienoxy]-dimethylsilyl]pent-4-enyl acetate (PubChem CID 134861149) has the molecular formula C15H26O3Si and a molecular weight of 282.46 g/mol. Its IUPAC name is 4-[[(2E,4E)-hexa-2,4-dienoxy]-dimethylsilyl]pent-4-enyl acetate.

Molecular Properties

Compound Name4-[[(2E,4E)-hexa-2,4-dienoxy]-dimethylsilyl]pent-4-enyl acetate
PubChem CID134861149
Molecular FormulaC15H26O3Si
Molecular Weight282.46 g/mol
Exact Mass282.17
IUPAC Name4-[[(2E,4E)-hexa-2,4-dienoxy]-dimethylsilyl]pent-4-enyl acetate
SMILESC=C(CCCOC(C)=O)[Si](C)(C)OC/C=C/C=C/C
InChIInChI=1S/C15H26O3Si/c1-6-7-8-9-13-18-19(4,5)14(2)11-10-12-17-15(3)16/h6-9H,2,10-13H2,1,3-5H3/b7-6+,9-8+
InChIKeyRENJTRGVTFGEJZ-BLHCBFLLSA-N
XLogP3.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-5-trimethylsilylpent-4-enyl] acetate
CID 59990255
[(4E,6Z)-8-[tert-butyl(dimethyl)silyl]oxyocta-4,6-dienyl] 2,2-dimethylpropanoate
CID 10065871
[(4E,6E,8E)-12-tri(propan-2-yl)silyloxydodeca-4,6,8-trienyl] acetate
CID 15605886
[(E)-5-trimethylsilylpent-4-enyl] acetate
CID 20765107
[(2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienyl] acetate
CID 101750028
[(Z)-5-triethylsilylpent-4-enyl] acetate
CID 102272626
[(Z)-5-[diethoxy(methyl)silyl]pent-4-enyl] acetate
CID 177620198

Frequently Asked Questions

What is the IUPAC name of 4-[[(2E,4E)-hexa-2,4-dienoxy]-dimethylsilyl]pent-4-enyl acetate?
The IUPAC name of 4-[[(2E,4E)-hexa-2,4-dienoxy]-dimethylsilyl]pent-4-enyl acetate (CID 134861149) is 4-[[(2E,4E)-hexa-2,4-dienoxy]-dimethylsilyl]pent-4-enyl acetate.
What is the SMILES notation for 4-[[(2E,4E)-hexa-2,4-dienoxy]-dimethylsilyl]pent-4-enyl acetate?
The canonical SMILES for 4-[[(2E,4E)-hexa-2,4-dienoxy]-dimethylsilyl]pent-4-enyl acetate is C=C(CCCOC(C)=O)[Si](C)(C)OC/C=C/C=C/C.
What is the InChIKey of 4-[[(2E,4E)-hexa-2,4-dienoxy]-dimethylsilyl]pent-4-enyl acetate?
The InChIKey is RENJTRGVTFGEJZ-BLHCBFLLSA-N. The full InChI is InChI=1S/C15H26O3Si/c1-6-7-8-9-13-18-19(4,5)14(2)11-10-12-17-15(3)16/h6-9H,2,10-13H2,1,3-5H3/b7-6+,9-8+.
What are the key properties of 4-[[(2E,4E)-hexa-2,4-dienoxy]-dimethylsilyl]pent-4-enyl acetate?
4-[[(2E,4E)-hexa-2,4-dienoxy]-dimethylsilyl]pent-4-enyl acetate has a molecular weight of 282.46 g/mol, XLogP of 3.78, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2E,4E)-hexa-2,4-dienoxy]-dimethylsilyl]pent-4-enyl acetate is sourced from PubChem (CID 134861149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).