[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexen-1-yl]methyl acetate

C16H30O3Si — CID 22854365

IUPAC[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexen-1-yl]methyl acetate
SMILESCC(=O)OCC1=CCCC[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-13(17)18-11-14-9-7-8-10-15(14)12-19-20(5,6)16(2,3)4/h9,15H,7-8,10-12H2,1-6H3/t15-/m1/s1
InChIKeyLRHNZXSMMOSHAZ-OAHLLOKOSA-N
MW298.50 g/mol
LogP4.30
Rot. Bonds5

About [(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexen-1-yl]methyl acetate

[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexen-1-yl]methyl acetate (PubChem CID 22854365) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is [(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexen-1-yl]methyl acetate.

Molecular Properties

Compound Name[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexen-1-yl]methyl acetate
PubChem CID22854365
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexen-1-yl]methyl acetate
SMILESCC(=O)OCC1=CCCC[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-13(17)18-11-14-9-7-8-10-15(14)12-19-20(5,6)16(2,3)4/h9,15H,7-8,10-12H2,1-6H3/t15-/m1/s1
InChIKeyLRHNZXSMMOSHAZ-OAHLLOKOSA-N
XLogP4.30
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 ≤ 54.30
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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Frequently Asked Questions

What is the IUPAC name of [(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexen-1-yl]methyl acetate?
The IUPAC name of [(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexen-1-yl]methyl acetate (CID 22854365) is [(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexen-1-yl]methyl acetate.
What is the SMILES notation for [(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexen-1-yl]methyl acetate?
The canonical SMILES for [(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexen-1-yl]methyl acetate is CC(=O)OCC1=CCCC[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexen-1-yl]methyl acetate?
The InChIKey is LRHNZXSMMOSHAZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-13(17)18-11-14-9-7-8-10-15(14)12-19-20(5,6)16(2,3)4/h9,15H,7-8,10-12H2,1-6H3/t15-/m1/s1.
What are the key properties of [(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexen-1-yl]methyl acetate?
[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexen-1-yl]methyl acetate has a molecular weight of 298.50 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexen-1-yl]methyl acetate is sourced from PubChem (CID 22854365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).