[(1S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate

C16H30O3Si — CID 57284807

IUPAC[(1S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate
SMILESCC(=O)OC[C@H]1CC=C[C@@H](CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H30O3Si/c1-13(17)18-11-14-8-7-9-15(10-14)12-19-20(5,6)16(2,3)4/h7,9,14-15H,8,10-12H2,1-6H3/t14-,15+/m0/s1
InChIKeyKQOUOLPGJHHYIE-LSDHHAIUSA-N
MW298.50 g/mol
LogP4.15
Rot. Bonds5

About [(1S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate

[(1S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate (PubChem CID 57284807) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is [(1S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate.

Molecular Properties

Compound Name[(1S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate
PubChem CID57284807
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name[(1S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate
SMILESCC(=O)OC[C@H]1CC=C[C@@H](CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H30O3Si/c1-13(17)18-11-14-8-7-9-15(10-14)12-19-20(5,6)16(2,3)4/h7,9,14-15H,8,10-12H2,1-6H3/t14-,15+/m0/s1
InChIKeyKQOUOLPGJHHYIE-LSDHHAIUSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.15
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,2R)-2-[1-(tert-Butyldimethylsilyloxy)-cyclopent-3-en-2-yl]ethyl acetate
CID 50942718
2-Trimethylsilylethyl cyclohex-3-ene-1-carboxylate
CID 59001139
[(1R,5S)-5-[[2-[tert-butyl(dimethyl)silyl]oxyacetyl]oxymethyl]cyclohex-3-en-1-yl]methyl 2-[tert-butyl(dimethyl)silyl]oxyacetate
CID 67567530
[[(1R,5S)-5-[acetyloxy-[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]-[tert-butyl(dimethyl)silyl]oxymethyl] acetate
CID 67567531
[2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-cyclohex-3-en-1-yl]ethyl] acetate
CID 67640794
[(1S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-3-en-1-yl]methyl acetate
CID 67640795
[2-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate
CID 67853973
2-[5-[Tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]ethyl acetate
CID 75587412
[(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate
CID 10826951
[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate
CID 24862361
ethyl (E,8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-enoate
CID 44226735

Frequently Asked Questions

What is the IUPAC name of [(1S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate?
The IUPAC name of [(1S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate (CID 57284807) is [(1S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate.
What is the SMILES notation for [(1S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate?
The canonical SMILES for [(1S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate is CC(=O)OC[C@H]1CC=C[C@@H](CO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [(1S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate?
The InChIKey is KQOUOLPGJHHYIE-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-13(17)18-11-14-8-7-9-15(10-14)12-19-20(5,6)16(2,3)4/h7,9,14-15H,8,10-12H2,1-6H3/t14-,15+/m0/s1.
What are the key properties of [(1S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate?
[(1S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate has a molecular weight of 298.50 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate is sourced from PubChem (CID 57284807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).