[(4S,6S)-2-methoxy-6-[(E,2S)-2-(2,2,2-trifluoroacetyl)oxy-5-trimethylsilylpent-4-enyl]oxan-4-yl] 2,2,2-trifluoroacetate

C18H26F6O6Si — CID 11488476

IUPAC[(4S,6S)-2-methoxy-6-[(E,2S)-2-(2,2,2-trifluoroacetyl)oxy-5-trimethylsilylpent-4-enyl]oxan-4-yl] 2,2,2-trifluoroacetate
SMILESCOC1C[C@@H](OC(=O)C(F)(F)F)C[C@H](C[C@H](C/C=C/[Si](C)(C)C)OC(=O)C(F)(F)F)O1
InChIInChI=1S/C18H26F6O6Si/c1-27-14-10-13(30-16(26)18(22,23)24)9-12(28-14)8-11(6-5-7-31(2,3)4)29-15(25)17(19,20)21/h5,7,11-14H,6,8-10H2,1-4H3/b7-5+/t11-,12-,13-,14?/m0/s1
InChIKeyHDBLERURUKCWDI-GVKUWLHNSA-N
MW480.47 g/mol
LogP4.30
Rot. Bonds8

About [(4S,6S)-2-methoxy-6-[(E,2S)-2-(2,2,2-trifluoroacetyl)oxy-5-trimethylsilylpent-4-enyl]oxan-4-yl] 2,2,2-trifluoroacetate

[(4S,6S)-2-methoxy-6-[(E,2S)-2-(2,2,2-trifluoroacetyl)oxy-5-trimethylsilylpent-4-enyl]oxan-4-yl] 2,2,2-trifluoroacetate (PubChem CID 11488476) has the molecular formula C18H26F6O6Si and a molecular weight of 480.47 g/mol. Its IUPAC name is [(4S,6S)-2-methoxy-6-[(E,2S)-2-(2,2,2-trifluoroacetyl)oxy-5-trimethylsilylpent-4-enyl]oxan-4-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(4S,6S)-2-methoxy-6-[(E,2S)-2-(2,2,2-trifluoroacetyl)oxy-5-trimethylsilylpent-4-enyl]oxan-4-yl] 2,2,2-trifluoroacetate
PubChem CID11488476
Molecular FormulaC18H26F6O6Si
Molecular Weight480.47 g/mol
Exact Mass480.14
IUPAC Name[(4S,6S)-2-methoxy-6-[(E,2S)-2-(2,2,2-trifluoroacetyl)oxy-5-trimethylsilylpent-4-enyl]oxan-4-yl] 2,2,2-trifluoroacetate
SMILESCOC1C[C@@H](OC(=O)C(F)(F)F)C[C@H](C[C@H](C/C=C/[Si](C)(C)C)OC(=O)C(F)(F)F)O1
InChIInChI=1S/C18H26F6O6Si/c1-27-14-10-13(30-16(26)18(22,23)24)9-12(28-14)8-11(6-5-7-31(2,3)4)29-15(25)17(19,20)21/h5,7,11-14H,6,8-10H2,1-4H3/b7-5+/t11-,12-,13-,14?/m0/s1
InChIKeyHDBLERURUKCWDI-GVKUWLHNSA-N
XLogP4.30
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.47
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4S,6S)-2-methoxy-6-[(E,2S)-2-(2,2,2-trifluoroacetyl)oxy-5-trimethylsilylpent-4-enyl]oxan-4-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [(4S,6S)-2-methoxy-6-[(E,2S)-2-(2,2,2-trifluoroacetyl)oxy-5-trimethylsilylpent-4-enyl]oxan-4-yl] 2,2,2-trifluoroacetate (CID 11488476) is [(4S,6S)-2-methoxy-6-[(E,2S)-2-(2,2,2-trifluoroacetyl)oxy-5-trimethylsilylpent-4-enyl]oxan-4-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(4S,6S)-2-methoxy-6-[(E,2S)-2-(2,2,2-trifluoroacetyl)oxy-5-trimethylsilylpent-4-enyl]oxan-4-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [(4S,6S)-2-methoxy-6-[(E,2S)-2-(2,2,2-trifluoroacetyl)oxy-5-trimethylsilylpent-4-enyl]oxan-4-yl] 2,2,2-trifluoroacetate is COC1C[C@@H](OC(=O)C(F)(F)F)C[C@H](C[C@H](C/C=C/[Si](C)(C)C)OC(=O)C(F)(F)F)O1.
What is the InChIKey of [(4S,6S)-2-methoxy-6-[(E,2S)-2-(2,2,2-trifluoroacetyl)oxy-5-trimethylsilylpent-4-enyl]oxan-4-yl] 2,2,2-trifluoroacetate?
The InChIKey is HDBLERURUKCWDI-GVKUWLHNSA-N. The full InChI is InChI=1S/C18H26F6O6Si/c1-27-14-10-13(30-16(26)18(22,23)24)9-12(28-14)8-11(6-5-7-31(2,3)4)29-15(25)17(19,20)21/h5,7,11-14H,6,8-10H2,1-4H3/b7-5+/t11-,12-,13-,14?/m0/s1.
What are the key properties of [(4S,6S)-2-methoxy-6-[(E,2S)-2-(2,2,2-trifluoroacetyl)oxy-5-trimethylsilylpent-4-enyl]oxan-4-yl] 2,2,2-trifluoroacetate?
[(4S,6S)-2-methoxy-6-[(E,2S)-2-(2,2,2-trifluoroacetyl)oxy-5-trimethylsilylpent-4-enyl]oxan-4-yl] 2,2,2-trifluoroacetate has a molecular weight of 480.47 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,6S)-2-methoxy-6-[(E,2S)-2-(2,2,2-trifluoroacetyl)oxy-5-trimethylsilylpent-4-enyl]oxan-4-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 11488476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).