(2R)-2-[(E,3R,4R)-4-hydroxy-3-(methoxymethoxy)-3-methyl-6-oxo-8-trimethylsilyloct-1-en-7-ynyl]-2,3-dihydropyran-6-one

C19H28O6Si — CID 11234363

IUPAC(2R)-2-[(E,3R,4R)-4-hydroxy-3-(methoxymethoxy)-3-methyl-6-oxo-8-trimethylsilyloct-1-en-7-ynyl]-2,3-dihydropyran-6-one
SMILESCOCO[C@](C)(/C=C/[C@H]1CC=CC(=O)O1)[C@H](O)CC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C19H28O6Si/c1-19(24-14-23-2,11-9-16-7-6-8-18(22)25-16)17(21)13-15(20)10-12-26(3,4)5/h6,8-9,11,16-17,21H,7,13-14H2,1-5H3/b11-9+/t16-,17-,19-/m1/s1
InChIKeyRGMLBQFOSRDVQY-UGDDLLDRSA-N
MW380.51 g/mol
LogP1.99
Rot. Bonds8

About (2R)-2-[(E,3R,4R)-4-hydroxy-3-(methoxymethoxy)-3-methyl-6-oxo-8-trimethylsilyloct-1-en-7-ynyl]-2,3-dihydropyran-6-one

(2R)-2-[(E,3R,4R)-4-hydroxy-3-(methoxymethoxy)-3-methyl-6-oxo-8-trimethylsilyloct-1-en-7-ynyl]-2,3-dihydropyran-6-one (PubChem CID 11234363) has the molecular formula C19H28O6Si and a molecular weight of 380.51 g/mol. Its IUPAC name is (2R)-2-[(E,3R,4R)-4-hydroxy-3-(methoxymethoxy)-3-methyl-6-oxo-8-trimethylsilyloct-1-en-7-ynyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-[(E,3R,4R)-4-hydroxy-3-(methoxymethoxy)-3-methyl-6-oxo-8-trimethylsilyloct-1-en-7-ynyl]-2,3-dihydropyran-6-one
PubChem CID11234363
Molecular FormulaC19H28O6Si
Molecular Weight380.51 g/mol
Exact Mass380.17
IUPAC Name(2R)-2-[(E,3R,4R)-4-hydroxy-3-(methoxymethoxy)-3-methyl-6-oxo-8-trimethylsilyloct-1-en-7-ynyl]-2,3-dihydropyran-6-one
SMILESCOCO[C@](C)(/C=C/[C@H]1CC=CC(=O)O1)[C@H](O)CC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C19H28O6Si/c1-19(24-14-23-2,11-9-16-7-6-8-18(22)25-16)17(21)13-15(20)10-12-26(3,4)5/h6,8-9,11,16-17,21H,7,13-14H2,1-5H3/b11-9+/t16-,17-,19-/m1/s1
InChIKeyRGMLBQFOSRDVQY-UGDDLLDRSA-N
XLogP1.99
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(E)-2-[(4R,5R)-2,2,4-trimethyl-5-(2-oxo-4-trimethylsilylbut-3-ynyl)-1,3-dioxolan-4-yl]ethenyl]-2,3-dihydropyran-6-one
CID 11164771
(2R)-2-[(E)-2-[(4S,5R)-2,2,4-trimethyl-5-(2-oxo-4-trimethylsilylbut-3-ynyl)-1,3-dioxolan-4-yl]ethenyl]-2,3-dihydropyran-6-one
CID 101383052
(2R)-2-[(E)-2-[(4S,5R)-5-(2-hydroxy-4-trimethylsilylbut-3-ynyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]-2,3-dihydropyran-6-one
CID 134931039
(2R)-2-[(E)-2-[(4R,5R)-5-(2-hydroxy-4-trimethylsilylbut-3-ynyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]-2,3-dihydropyran-6-one
CID 134931575
(2R)-2-[(E)-2-[(5R)-5-[(2R)-2-hydroxy-4-trimethylsilylbut-3-ynyl]-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]-2,3-dihydropyran-6-one
CID 134939189
(2R)-2-[(1E,3R,4R,7Z)-4-hydroxy-8-iodo-3-methyl-6-oxo-3-triethylsilyloxyocta-1,7-dienyl]-2,3-dihydropyran-6-one
CID 11202938
(2R)-2-[(E)-2-[(4R,5R)-5-[(2R)-2-hydroxy-4-trimethylsilylbut-3-ynyl]-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]-2,3-dihydropyran-6-one
CID 11268951
(2R)-2-[2-[(4S,5R)-2,2,4-trimethyl-5-(2-oxo-4-trimethylsilylbut-3-ynyl)-1,3-dioxolan-4-yl]ethenyl]-2,3-dihydropyran-6-one
CID 177391932
(2R)-2-[2-[(4R,5R)-5-[(2R)-2-hydroxy-4-trimethylsilylbut-3-ynyl]-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]-2,3-dihydropyran-6-one
CID 177443642
(2R)-2-[2-[(4R,5R)-2,2,4-trimethyl-5-(2-oxo-4-trimethylsilylbut-3-ynyl)-1,3-dioxolan-4-yl]ethenyl]-2,3-dihydropyran-6-one
CID 177487440
(2R)-2-[2-[(4S,5R)-5-[(2R)-2-hydroxy-4-trimethylsilylbut-3-ynyl]-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]-2,3-dihydropyran-6-one
CID 177556945

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(E,3R,4R)-4-hydroxy-3-(methoxymethoxy)-3-methyl-6-oxo-8-trimethylsilyloct-1-en-7-ynyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-[(E,3R,4R)-4-hydroxy-3-(methoxymethoxy)-3-methyl-6-oxo-8-trimethylsilyloct-1-en-7-ynyl]-2,3-dihydropyran-6-one (CID 11234363) is (2R)-2-[(E,3R,4R)-4-hydroxy-3-(methoxymethoxy)-3-methyl-6-oxo-8-trimethylsilyloct-1-en-7-ynyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-[(E,3R,4R)-4-hydroxy-3-(methoxymethoxy)-3-methyl-6-oxo-8-trimethylsilyloct-1-en-7-ynyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-[(E,3R,4R)-4-hydroxy-3-(methoxymethoxy)-3-methyl-6-oxo-8-trimethylsilyloct-1-en-7-ynyl]-2,3-dihydropyran-6-one is COCO[C@](C)(/C=C/[C@H]1CC=CC(=O)O1)[C@H](O)CC(=O)C#C[Si](C)(C)C.
What is the InChIKey of (2R)-2-[(E,3R,4R)-4-hydroxy-3-(methoxymethoxy)-3-methyl-6-oxo-8-trimethylsilyloct-1-en-7-ynyl]-2,3-dihydropyran-6-one?
The InChIKey is RGMLBQFOSRDVQY-UGDDLLDRSA-N. The full InChI is InChI=1S/C19H28O6Si/c1-19(24-14-23-2,11-9-16-7-6-8-18(22)25-16)17(21)13-15(20)10-12-26(3,4)5/h6,8-9,11,16-17,21H,7,13-14H2,1-5H3/b11-9+/t16-,17-,19-/m1/s1.
What are the key properties of (2R)-2-[(E,3R,4R)-4-hydroxy-3-(methoxymethoxy)-3-methyl-6-oxo-8-trimethylsilyloct-1-en-7-ynyl]-2,3-dihydropyran-6-one?
(2R)-2-[(E,3R,4R)-4-hydroxy-3-(methoxymethoxy)-3-methyl-6-oxo-8-trimethylsilyloct-1-en-7-ynyl]-2,3-dihydropyran-6-one has a molecular weight of 380.51 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(E,3R,4R)-4-hydroxy-3-(methoxymethoxy)-3-methyl-6-oxo-8-trimethylsilyloct-1-en-7-ynyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 11234363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).