(2R)-2-[(1E,4S,6R,8R,9E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-10-phenyldeca-1,9-dienyl]-2,3-dihydropyran-6-one

C33H54O5Si2 — CID 134844585

IUPAC(2R)-2-[(1E,4S,6R,8R,9E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-10-phenyldeca-1,9-dienyl]-2,3-dihydropyran-6-one
SMILESCC(C)(C)[Si](C)(C)O[C@H](C[C@@H](O)C/C=C/[C@H]1CC=CC(=O)O1)C[C@H](/C=C/c1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H54O5Si2/c1-32(2,3)39(7,8)37-29(23-22-26-16-12-11-13-17-26)25-30(38-40(9,10)33(4,5)6)24-27(34)18-14-19-28-20-15-21-31(35)36-28/h11-17,19,21-23,27-30,34H,18,20,24-25H2,1-10H3/b19-14+,23-22+/t27-,28-,29-,30+/m0/s1
InChIKeyWNTBWUIKRWYCNE-GENIMMJQSA-N
MW586.96 g/mol
LogP8.44
Rot. Bonds13

About (2R)-2-[(1E,4S,6R,8R,9E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-10-phenyldeca-1,9-dienyl]-2,3-dihydropyran-6-one

(2R)-2-[(1E,4S,6R,8R,9E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-10-phenyldeca-1,9-dienyl]-2,3-dihydropyran-6-one (PubChem CID 134844585) has the molecular formula C33H54O5Si2 and a molecular weight of 586.96 g/mol. Its IUPAC name is (2R)-2-[(1E,4S,6R,8R,9E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-10-phenyldeca-1,9-dienyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-[(1E,4S,6R,8R,9E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-10-phenyldeca-1,9-dienyl]-2,3-dihydropyran-6-one
PubChem CID134844585
Molecular FormulaC33H54O5Si2
Molecular Weight586.96 g/mol
Exact Mass586.35
IUPAC Name(2R)-2-[(1E,4S,6R,8R,9E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-10-phenyldeca-1,9-dienyl]-2,3-dihydropyran-6-one
SMILESCC(C)(C)[Si](C)(C)O[C@H](C[C@@H](O)C/C=C/[C@H]1CC=CC(=O)O1)C[C@H](/C=C/c1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H54O5Si2/c1-32(2,3)39(7,8)37-29(23-22-26-16-12-11-13-17-26)25-30(38-40(9,10)33(4,5)6)24-27(34)18-14-19-28-20-15-21-31(35)36-28/h11-17,19,21-23,27-30,34H,18,20,24-25H2,1-10H3/b19-14+,23-22+/t27-,28-,29-,30+/m0/s1
InChIKeyWNTBWUIKRWYCNE-GENIMMJQSA-N
XLogP8.44
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.96
LogP ≤ 58.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-2-[(1E,4S,6R,8R,9E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-10-phenyldeca-1,9-dienyl]-2,3-dihydropyran-6-one with MolForge

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Related Compounds

2-(4-hydroxy-6-oxo-8-phenylocta-1,7-dienyl)-2,3-dihydropyran-6-one
CID 162880407
[(3R,5R,7R)-5,7-dihydroxy-10-[(2S)-6-oxo-2,3-dihydropyran-2-yl]-1-phenyldec-9-en-3-yl] acetate
CID 162991391
2-(4,6,8-trihydroxy-10-phenyldec-1-enyl)-2,3-dihydropyran-6-one
CID 74438088
(2R)-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
CID 6440856
(2S)-2-[(Z)-2-phenylethenyl]-2,3-dihydropyran-6-one
CID 11229405
(2R)-2-[(3S,4R,6R,7Z,9E,11E)-6-[tert-butyl(dimethyl)silyl]oxy-13-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-methyl-3-triethylsilyloxytrideca-1,7,9,11-tetraenyl]-2,3-dihydropyran-6-one
CID 177385935
(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-4-en-1-ol
CID 101421938
(2R)-2-[(E,3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxy-3-methyl-8-trimethylsilyloct-1-en-7-ynyl]-2,3-dihydropyran-6-one
CID 44556779
(2R)-2-[(1E,3R,4R,6R,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-3-methyl-3,4-bis(triethylsilyloxy)octa-1,7-dienyl]-2,3-dihydropyran-6-one
CID 11285603
(2R)-2-[(E,2R,4S)-2,4-dihydroxy-6-phenylhex-5-enyl]-2,3-dihydropyran-6-one
CID 101052038
[(E,2S)-1-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-4-phenylbut-3-en-2-yl] acetate
CID 11808267
(2R)-2-[(E)-3-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2,3-dihydropyran-6-one
CID 70676018

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1E,4S,6R,8R,9E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-10-phenyldeca-1,9-dienyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-[(1E,4S,6R,8R,9E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-10-phenyldeca-1,9-dienyl]-2,3-dihydropyran-6-one (CID 134844585) is (2R)-2-[(1E,4S,6R,8R,9E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-10-phenyldeca-1,9-dienyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-[(1E,4S,6R,8R,9E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-10-phenyldeca-1,9-dienyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-[(1E,4S,6R,8R,9E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-10-phenyldeca-1,9-dienyl]-2,3-dihydropyran-6-one is CC(C)(C)[Si](C)(C)O[C@H](C[C@@H](O)C/C=C/[C@H]1CC=CC(=O)O1)C[C@H](/C=C/c1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R)-2-[(1E,4S,6R,8R,9E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-10-phenyldeca-1,9-dienyl]-2,3-dihydropyran-6-one?
The InChIKey is WNTBWUIKRWYCNE-GENIMMJQSA-N. The full InChI is InChI=1S/C33H54O5Si2/c1-32(2,3)39(7,8)37-29(23-22-26-16-12-11-13-17-26)25-30(38-40(9,10)33(4,5)6)24-27(34)18-14-19-28-20-15-21-31(35)36-28/h11-17,19,21-23,27-30,34H,18,20,24-25H2,1-10H3/b19-14+,23-22+/t27-,28-,29-,30+/m0/s1.
What are the key properties of (2R)-2-[(1E,4S,6R,8R,9E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-10-phenyldeca-1,9-dienyl]-2,3-dihydropyran-6-one?
(2R)-2-[(1E,4S,6R,8R,9E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-10-phenyldeca-1,9-dienyl]-2,3-dihydropyran-6-one has a molecular weight of 586.96 g/mol, XLogP of 8.44, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1E,4S,6R,8R,9E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-10-phenyldeca-1,9-dienyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 134844585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).