[(1S,6S,7S,8R,11S)-6-[tert-butyl(dimethyl)silyl]oxy-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-8-yl] acetate

C17H28O5Si — CID 11186867

IUPAC[(1S,6S,7S,8R,11S)-6-[tert-butyl(dimethyl)silyl]oxy-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-8-yl] acetate
SMILESCC(=O)O[C@H]1CO[C@@H]2OCC3=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H]32
InChIInChI=1S/C17H28O5Si/c1-10(18)21-13-9-20-16-14-11(8-19-16)7-12(15(13)14)22-23(5,6)17(2,3)4/h7,12-16H,8-9H2,1-6H3/t12-,13-,14+,15+,16-/m0/s1
InChIKeyGCIRUKUHOCFMHB-RBZJEDDUSA-N
MW340.49 g/mol
LogP2.87
Rot. Bonds3

About [(1S,6S,7S,8R,11S)-6-[tert-butyl(dimethyl)silyl]oxy-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-8-yl] acetate

[(1S,6S,7S,8R,11S)-6-[tert-butyl(dimethyl)silyl]oxy-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-8-yl] acetate (PubChem CID 11186867) has the molecular formula C17H28O5Si and a molecular weight of 340.49 g/mol. Its IUPAC name is [(1S,6S,7S,8R,11S)-6-[tert-butyl(dimethyl)silyl]oxy-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-8-yl] acetate.

Molecular Properties

Compound Name[(1S,6S,7S,8R,11S)-6-[tert-butyl(dimethyl)silyl]oxy-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-8-yl] acetate
PubChem CID11186867
Molecular FormulaC17H28O5Si
Molecular Weight340.49 g/mol
Exact Mass340.17
IUPAC Name[(1S,6S,7S,8R,11S)-6-[tert-butyl(dimethyl)silyl]oxy-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-8-yl] acetate
SMILESCC(=O)O[C@H]1CO[C@@H]2OCC3=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H]32
InChIInChI=1S/C17H28O5Si/c1-10(18)21-13-9-20-16-14-11(8-19-16)7-12(15(13)14)22-23(5,6)17(2,3)4/h7,12-16H,8-9H2,1-6H3/t12-,13-,14+,15+,16-/m0/s1
InChIKeyGCIRUKUHOCFMHB-RBZJEDDUSA-N
XLogP2.87
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(1S,6S,7S,8R,11S)-6-[tert-butyl(dimethyl)silyl]oxy-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-8-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 101122248
CID 101122248
CID 101122262
CID 101122262
[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl] acetate
CID 10978542
[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate
CID 14054746
[(1S,6S,7R,8S,9R,11S)-8-phenylmethoxy-9-(phenylmethoxymethyl)-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-6-yl] acetate
CID 10574935
[(4aR,7S,8S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4a,7,8,8a-tetrahydro-4H-1,3-benzodioxin-8-yl] acetate
CID 11732215
[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl] acetate
CID 54211622
[(1R,2R,3S,4S,5S,6R,7R,8R)-2,3,4,5-tetraacetyloxy-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-8-(hydroxymethyl)cyclooctyl] acetate
CID 25258188
[(2S,3S,5R,6R)-2,6-diacetyloxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylmethoxycyclohexyl] acetate
CID 10031871
[3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclohexyl] acetate
CID 21335008
[(1S,2Z,4R,5R,6R,7S,8R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7,8-dihydroxy-6-[(4-methoxyphenyl)methoxy]cyclooct-2-en-1-yl] acetate
CID 102390657
[(2R,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methyloxan-4-yl] acetate
CID 70170361

Frequently Asked Questions

What is the IUPAC name of [(1S,6S,7S,8R,11S)-6-[tert-butyl(dimethyl)silyl]oxy-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-8-yl] acetate?
The IUPAC name of [(1S,6S,7S,8R,11S)-6-[tert-butyl(dimethyl)silyl]oxy-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-8-yl] acetate (CID 11186867) is [(1S,6S,7S,8R,11S)-6-[tert-butyl(dimethyl)silyl]oxy-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-8-yl] acetate.
What is the SMILES notation for [(1S,6S,7S,8R,11S)-6-[tert-butyl(dimethyl)silyl]oxy-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-8-yl] acetate?
The canonical SMILES for [(1S,6S,7S,8R,11S)-6-[tert-butyl(dimethyl)silyl]oxy-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-8-yl] acetate is CC(=O)O[C@H]1CO[C@@H]2OCC3=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H]32.
What is the InChIKey of [(1S,6S,7S,8R,11S)-6-[tert-butyl(dimethyl)silyl]oxy-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-8-yl] acetate?
The InChIKey is GCIRUKUHOCFMHB-RBZJEDDUSA-N. The full InChI is InChI=1S/C17H28O5Si/c1-10(18)21-13-9-20-16-14-11(8-19-16)7-12(15(13)14)22-23(5,6)17(2,3)4/h7,12-16H,8-9H2,1-6H3/t12-,13-,14+,15+,16-/m0/s1.
What are the key properties of [(1S,6S,7S,8R,11S)-6-[tert-butyl(dimethyl)silyl]oxy-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-8-yl] acetate?
[(1S,6S,7S,8R,11S)-6-[tert-butyl(dimethyl)silyl]oxy-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-8-yl] acetate has a molecular weight of 340.49 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,6S,7S,8R,11S)-6-[tert-butyl(dimethyl)silyl]oxy-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-8-yl] acetate is sourced from PubChem (CID 11186867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).