[(1R,5S)-5-[[2-[tert-butyl(dimethyl)silyl]oxyacetyl]oxymethyl]cyclohex-3-en-1-yl]methyl 2-[tert-butyl(dimethyl)silyl]oxyacetate

C24H46O6Si2 — CID 67567530

IUPAC[(1R,5S)-5-[[2-[tert-butyl(dimethyl)silyl]oxyacetyl]oxymethyl]cyclohex-3-en-1-yl]methyl 2-[tert-butyl(dimethyl)silyl]oxyacetate
SMILESCC(C)(C)[Si](C)(C)OCC(=O)OC[C@@H]1C=CC[C@@H](COC(=O)CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C24H46O6Si2/c1-23(2,3)31(7,8)29-17-21(25)27-15-19-12-11-13-20(14-19)16-28-22(26)18-30-32(9,10)24(4,5)6/h11-12,19-20H,13-18H2,1-10H3/t19-,20-/m1/s1
InChIKeyXJWHJBSRMRWPDU-WOJBJXKFSA-N
MW486.80 g/mol
LogP5.70
Rot. Bonds10

About [(1R,5S)-5-[[2-[tert-butyl(dimethyl)silyl]oxyacetyl]oxymethyl]cyclohex-3-en-1-yl]methyl 2-[tert-butyl(dimethyl)silyl]oxyacetate

[(1R,5S)-5-[[2-[tert-butyl(dimethyl)silyl]oxyacetyl]oxymethyl]cyclohex-3-en-1-yl]methyl 2-[tert-butyl(dimethyl)silyl]oxyacetate (PubChem CID 67567530) has the molecular formula C24H46O6Si2 and a molecular weight of 486.80 g/mol. Its IUPAC name is [(1R,5S)-5-[[2-[tert-butyl(dimethyl)silyl]oxyacetyl]oxymethyl]cyclohex-3-en-1-yl]methyl 2-[tert-butyl(dimethyl)silyl]oxyacetate.

Molecular Properties

Compound Name[(1R,5S)-5-[[2-[tert-butyl(dimethyl)silyl]oxyacetyl]oxymethyl]cyclohex-3-en-1-yl]methyl 2-[tert-butyl(dimethyl)silyl]oxyacetate
PubChem CID67567530
Molecular FormulaC24H46O6Si2
Molecular Weight486.80 g/mol
Exact Mass486.28
IUPAC Name[(1R,5S)-5-[[2-[tert-butyl(dimethyl)silyl]oxyacetyl]oxymethyl]cyclohex-3-en-1-yl]methyl 2-[tert-butyl(dimethyl)silyl]oxyacetate
SMILESCC(C)(C)[Si](C)(C)OCC(=O)OC[C@@H]1C=CC[C@@H](COC(=O)CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C24H46O6Si2/c1-23(2,3)31(7,8)29-17-21(25)27-15-19-12-11-13-20(14-19)16-28-22(26)18-30-32(9,10)24(4,5)6/h11-12,19-20H,13-18H2,1-10H3/t19-,20-/m1/s1
InChIKeyXJWHJBSRMRWPDU-WOJBJXKFSA-N
XLogP5.70
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.80
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 [(1R,5S)-5-[[2-[tert-butyl(dimethyl)silyl]oxyacetyl]oxymethyl]cyclohex-3-en-1-yl]methyl 2-[tert-butyl(dimethyl)silyl]oxyacetate?
The IUPAC name of [(1R,5S)-5-[[2-[tert-butyl(dimethyl)silyl]oxyacetyl]oxymethyl]cyclohex-3-en-1-yl]methyl 2-[tert-butyl(dimethyl)silyl]oxyacetate (CID 67567530) is [(1R,5S)-5-[[2-[tert-butyl(dimethyl)silyl]oxyacetyl]oxymethyl]cyclohex-3-en-1-yl]methyl 2-[tert-butyl(dimethyl)silyl]oxyacetate.
What is the SMILES notation for [(1R,5S)-5-[[2-[tert-butyl(dimethyl)silyl]oxyacetyl]oxymethyl]cyclohex-3-en-1-yl]methyl 2-[tert-butyl(dimethyl)silyl]oxyacetate?
The canonical SMILES for [(1R,5S)-5-[[2-[tert-butyl(dimethyl)silyl]oxyacetyl]oxymethyl]cyclohex-3-en-1-yl]methyl 2-[tert-butyl(dimethyl)silyl]oxyacetate is CC(C)(C)[Si](C)(C)OCC(=O)OC[C@@H]1C=CC[C@@H](COC(=O)CO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [(1R,5S)-5-[[2-[tert-butyl(dimethyl)silyl]oxyacetyl]oxymethyl]cyclohex-3-en-1-yl]methyl 2-[tert-butyl(dimethyl)silyl]oxyacetate?
The InChIKey is XJWHJBSRMRWPDU-WOJBJXKFSA-N. The full InChI is InChI=1S/C24H46O6Si2/c1-23(2,3)31(7,8)29-17-21(25)27-15-19-12-11-13-20(14-19)16-28-22(26)18-30-32(9,10)24(4,5)6/h11-12,19-20H,13-18H2,1-10H3/t19-,20-/m1/s1.
What are the key properties of [(1R,5S)-5-[[2-[tert-butyl(dimethyl)silyl]oxyacetyl]oxymethyl]cyclohex-3-en-1-yl]methyl 2-[tert-butyl(dimethyl)silyl]oxyacetate?
[(1R,5S)-5-[[2-[tert-butyl(dimethyl)silyl]oxyacetyl]oxymethyl]cyclohex-3-en-1-yl]methyl 2-[tert-butyl(dimethyl)silyl]oxyacetate has a molecular weight of 486.80 g/mol, XLogP of 5.70, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-5-[[2-[tert-butyl(dimethyl)silyl]oxyacetyl]oxymethyl]cyclohex-3-en-1-yl]methyl 2-[tert-butyl(dimethyl)silyl]oxyacetate is sourced from PubChem (CID 67567530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).