8-[tert-butyl(dimethyl)silyl]oxyocta-2,3-dienyl acetate

C16H30O3Si — CID 46188086

IUPAC8-[tert-butyl(dimethyl)silyl]oxyocta-2,3-dienyl acetate
SMILESCC(=O)OCC=C=CCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-15(17)18-13-11-9-7-8-10-12-14-19-20(5,6)16(2,3)4/h7,11H,8,10,12-14H2,1-6H3
InChIKeyRJSKEAVZFOQTKD-UHFFFAOYSA-N
MW298.50 g/mol
LogP4.45
Rot. Bonds8

About 8-[tert-butyl(dimethyl)silyl]oxyocta-2,3-dienyl acetate

8-[tert-butyl(dimethyl)silyl]oxyocta-2,3-dienyl acetate (PubChem CID 46188086) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is 8-[tert-butyl(dimethyl)silyl]oxyocta-2,3-dienyl acetate.

Molecular Properties

Compound Name8-[tert-butyl(dimethyl)silyl]oxyocta-2,3-dienyl acetate
PubChem CID46188086
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name8-[tert-butyl(dimethyl)silyl]oxyocta-2,3-dienyl acetate
SMILESCC(=O)OCC=C=CCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-15(17)18-13-11-9-7-8-10-12-14-19-20(5,6)16(2,3)4/h7,11H,8,10,12-14H2,1-6H3
InChIKeyRJSKEAVZFOQTKD-UHFFFAOYSA-N
XLogP4.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.45
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'}

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Related Compounds

Prop-2-enyl 8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,3-dienoate
CID 44817642
[(3S)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate
CID 45101605
[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate
CID 134944492
[(Z)-1-tributylstannyl-1-trimethylsilylhex-1-en-3-yl] acetate
CID 135007439
9-[Tert-butyl(dimethyl)silyl]oxynona-2,3-dienyl acetate
CID 135015661
[(3S,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl] acetate
CID 11380641
[(E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enyl] acetate
CID 10935058
7-[Tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienyl acetate
CID 57291525
2-Trimethylsilylethyl nona-2,3-dienoate
CID 10491190
[(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate
CID 11448684
6-[Tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl acetate
CID 21581018
[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate
CID 25023044

Frequently Asked Questions

What is the IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxyocta-2,3-dienyl acetate?
The IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxyocta-2,3-dienyl acetate (CID 46188086) is 8-[tert-butyl(dimethyl)silyl]oxyocta-2,3-dienyl acetate.
What is the SMILES notation for 8-[tert-butyl(dimethyl)silyl]oxyocta-2,3-dienyl acetate?
The canonical SMILES for 8-[tert-butyl(dimethyl)silyl]oxyocta-2,3-dienyl acetate is CC(=O)OCC=C=CCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 8-[tert-butyl(dimethyl)silyl]oxyocta-2,3-dienyl acetate?
The InChIKey is RJSKEAVZFOQTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-15(17)18-13-11-9-7-8-10-12-14-19-20(5,6)16(2,3)4/h7,11H,8,10,12-14H2,1-6H3.
What are the key properties of 8-[tert-butyl(dimethyl)silyl]oxyocta-2,3-dienyl acetate?
8-[tert-butyl(dimethyl)silyl]oxyocta-2,3-dienyl acetate has a molecular weight of 298.50 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[tert-butyl(dimethyl)silyl]oxyocta-2,3-dienyl acetate is sourced from PubChem (CID 46188086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).