[4-[tert-butyl(dimethyl)silyl]oxycyclooct-2-en-1-yl] acetate

C16H30O3Si — CID 123750845

IUPAC[4-[tert-butyl(dimethyl)silyl]oxycyclooct-2-en-1-yl] acetate
SMILESCC(=O)OC1C=CC(O[Si](C)(C)C(C)(C)C)CCCC1
InChIInChI=1S/C16H30O3Si/c1-13(17)18-14-9-7-8-10-15(12-11-14)19-20(5,6)16(2,3)4/h11-12,14-15H,7-10H2,1-6H3
InChIKeyLYRPJNUYJQRYQY-UHFFFAOYSA-N
MW298.50 g/mol
LogP4.44
Rot. Bonds3

About [4-[tert-butyl(dimethyl)silyl]oxycyclooct-2-en-1-yl] acetate

[4-[tert-butyl(dimethyl)silyl]oxycyclooct-2-en-1-yl] acetate (PubChem CID 123750845) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is [4-[tert-butyl(dimethyl)silyl]oxycyclooct-2-en-1-yl] acetate.

Molecular Properties

Compound Name[4-[tert-butyl(dimethyl)silyl]oxycyclooct-2-en-1-yl] acetate
PubChem CID123750845
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name[4-[tert-butyl(dimethyl)silyl]oxycyclooct-2-en-1-yl] acetate
SMILESCC(=O)OC1C=CC(O[Si](C)(C)C(C)(C)C)CCCC1
InChIInChI=1S/C16H30O3Si/c1-13(17)18-14-9-7-8-10-15(12-11-14)19-20(5,6)16(2,3)4/h11-12,14-15H,7-10H2,1-6H3
InChIKeyLYRPJNUYJQRYQY-UHFFFAOYSA-N
XLogP4.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.44
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'}

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Related Compounds

(1S,4R)-1-Acetoxy-4-(tert-butyldimethylsilanyloxy)-2-cyclohexene
CID 10978542
2-Cycloocten-1-YL acetate
CID 10997432
(E)-tert-Butyl 11-(tert-butyldimethylsilyloxy)-2-undecenoate
CID 24859311
2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-4-methyl-3-prop-2-enyl-2H-furan-5-one
CID 44817643
methyl (E)-3-propyl-4-triethylsilyloxydec-2-enoate
CID 71486540
[(E)-1-triethylsilyldec-1-en-3-yl] acetate
CID 101544369
Methyl (2e,5s)-5-{[t-butyl(dimethyl)silyl]-oxy}hexadec-2-enoate
CID 129759001
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-2-enoate
CID 134846818
[(E)-nonadec-10-en-9-yl] acetate
CID 134872860
[(E)-tetradec-4-en-6-yl] acetate
CID 134892494
[(E,9S)-pentacos-10-en-9-yl] acetate
CID 134916544
ethyl (5S)-5-[tert-butyl(dimethyl)silyl]oxydodec-2-enoate
CID 135009693

Frequently Asked Questions

What is the IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxycyclooct-2-en-1-yl] acetate?
The IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxycyclooct-2-en-1-yl] acetate (CID 123750845) is [4-[tert-butyl(dimethyl)silyl]oxycyclooct-2-en-1-yl] acetate.
What is the SMILES notation for [4-[tert-butyl(dimethyl)silyl]oxycyclooct-2-en-1-yl] acetate?
The canonical SMILES for [4-[tert-butyl(dimethyl)silyl]oxycyclooct-2-en-1-yl] acetate is CC(=O)OC1C=CC(O[Si](C)(C)C(C)(C)C)CCCC1.
What is the InChIKey of [4-[tert-butyl(dimethyl)silyl]oxycyclooct-2-en-1-yl] acetate?
The InChIKey is LYRPJNUYJQRYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-13(17)18-14-9-7-8-10-15(12-11-14)19-20(5,6)16(2,3)4/h11-12,14-15H,7-10H2,1-6H3.
What are the key properties of [4-[tert-butyl(dimethyl)silyl]oxycyclooct-2-en-1-yl] acetate?
[4-[tert-butyl(dimethyl)silyl]oxycyclooct-2-en-1-yl] acetate has a molecular weight of 298.50 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(dimethyl)silyl]oxycyclooct-2-en-1-yl] acetate is sourced from PubChem (CID 123750845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).