8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl acetate

C16H32O3Si — CID 11001086

IUPAC8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl acetate
SMILESC=CC(CCCCCO[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C16H32O3Si/c1-8-15(19-14(2)17)12-10-9-11-13-18-20(6,7)16(3,4)5/h8,15H,1,9-13H2,2-7H3
InChIKeyCOAARSSADOEWEK-UHFFFAOYSA-N
MW300.51 g/mol
LogP4.69
Rot. Bonds9

About 8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl acetate

8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl acetate (PubChem CID 11001086) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is 8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl acetate.

Molecular Properties

Compound Name8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl acetate
PubChem CID11001086
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Name8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl acetate
SMILESC=CC(CCCCCO[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C16H32O3Si/c1-8-15(19-14(2)17)12-10-9-11-13-18-20(6,7)16(3,4)5/h8,15H,1,9-13H2,2-7H3
InChIKeyCOAARSSADOEWEK-UHFFFAOYSA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.69
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] prop-2-enoate
CID 11594572
Ethyl (3R,6S)-6-(triisopropylsiloxy)-3,4-tridecadienoate
CID 11825755
[(3S)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate
CID 45101605
[(E)-1-triethylsilyldec-1-en-3-yl] acetate
CID 101544369
ethyl (5S)-5-[tert-butyl(dimethyl)silyl]oxydodec-2-enoate
CID 135009693
ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxydodec-2-enoate
CID 135009694
9-[Tert-butyl(dimethyl)silyl]oxynona-2,3-dienyl acetate
CID 135015661
[(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] 2,2-dimethylpropanoate
CID 135079804
[(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-en-3-yl] prop-2-enoate
CID 138976584
[(E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-3-en-2-yl] acetate
CID 139263528
(S)-8-((tert-butyldimethylsilyl)oxy)oct-1-en-4-yl acrylate
CID 145865225
[(3S,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl] acetate
CID 11380641

Frequently Asked Questions

What is the IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl acetate?
The IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl acetate (CID 11001086) is 8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl acetate.
What is the SMILES notation for 8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl acetate?
The canonical SMILES for 8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl acetate is C=CC(CCCCCO[Si](C)(C)C(C)(C)C)OC(C)=O.
What is the InChIKey of 8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl acetate?
The InChIKey is COAARSSADOEWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-8-15(19-14(2)17)12-10-9-11-13-18-20(6,7)16(3,4)5/h8,15H,1,9-13H2,2-7H3.
What are the key properties of 8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl acetate?
8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl acetate has a molecular weight of 300.51 g/mol, XLogP of 4.69, 9 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]oxyoct-1-en-3-yl acetate is sourced from PubChem (CID 11001086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).