(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

C20H30O5Si — CID 11268951

IUPAC(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
SMILESCC1(C)O[C@H](C[C@@H](O)C#C[Si](C)(C)C)[C@@](C)(/C=C/[C@H]2CC=CC(=O)O2)O1
InChIInChI=1S/C20H30O5Si/c1-19(2)24-17(14-15(21)11-13-26(4,5)6)20(3,25-19)12-10-16-8-7-9-18(22)23-16/h7,9-10,12,15-17,21H,8,14H2,1-6H3/b12-10+/t15-,16+,17+,20+/m0/s1
InChIKeyDIWLHHQPBKEORI-GEDXHJSBSA-N
MW378.54 g/mol
LogP2.96
Rot. Bonds4

About (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

(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 (PubChem CID 11268951) has the molecular formula C20H30O5Si and a molecular weight of 378.54 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID11268951
Molecular FormulaC20H30O5Si
Molecular Weight378.54 g/mol
Exact Mass378.19
IUPAC Name(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
SMILESCC1(C)O[C@H](C[C@@H](O)C#C[Si](C)(C)C)[C@@](C)(/C=C/[C@H]2CC=CC(=O)O2)O1
InChIInChI=1S/C20H30O5Si/c1-19(2)24-17(14-15(21)11-13-26(4,5)6)20(3,25-19)12-10-16-8-7-9-18(22)23-16/h7,9-10,12,15-17,21H,8,14H2,1-6H3/b12-10+/t15-,16+,17+,20+/m0/s1
InChIKeyDIWLHHQPBKEORI-GEDXHJSBSA-N
XLogP2.96
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.96
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(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
ethyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 13006406
(2S,3S)-2-[(E)-2-[(4R,5R)-5-[(Z,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-iodobut-3-enyl]-4-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-3-ethyl-2,3-dihydropyran-6-one
CID 25135414
(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
methyl 3-[(6R,7R,8R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dihydroxy-7-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-9-en-6-yl]prop-2-ynoate
CID 134943675
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3H-pyran-6-one
CID 406739
(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(triethylsilyloxymethyl)-3H-pyran-6-one
CID 406740
1,3-Dioxolan-4-propenoic acid, 2,2-dimethyl-5-[2-(t-butyldimethylsilyloxy)propyl]-
CID 5366930
methyl (Z)-3-[(4S,5R)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 10737266
(2R)-2-[(E)-2-[(4R,5R)-5-[(Z,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-iodobut-3-enyl]-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]-2,3-dihydropyran-6-one
CID 11157068

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1(C)O[C@H](C[C@@H](O)C#C[Si](C)(C)C)[C@@](C)(/C=C/[C@H]2CC=CC(=O)O2)O1.
What is the InChIKey of (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?
The InChIKey is DIWLHHQPBKEORI-GEDXHJSBSA-N. The full InChI is InChI=1S/C20H30O5Si/c1-19(2)24-17(14-15(21)11-13-26(4,5)6)20(3,25-19)12-10-16-8-7-9-18(22)23-16/h7,9-10,12,15-17,21H,8,14H2,1-6H3/b12-10+/t15-,16+,17+,20+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 378.54 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 11268951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).