(2R)-2-[(Z)-2-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethenyl]-2,3-dihydropyran-6-one

C21H36O5Si — CID 25058809

IUPAC(2R)-2-[(Z)-2-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethenyl]-2,3-dihydropyran-6-one
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@@H](/C=C\[C@H]2CC=CC(=O)O2)OC(C)(C)O1
InChIInChI=1S/C21H36O5Si/c1-15(26-27(7,8)20(2,3)4)18-14-17(24-21(5,6)25-18)13-12-16-10-9-11-19(22)23-16/h9,11-13,15-18H,10,14H2,1-8H3/b13-12-/t15-,16+,17+,18+/m0/s1
InChIKeyJUDFYRNJVFHVMX-NBILACBVSA-N
MW396.60 g/mol
LogP4.73
Rot. Bonds5

About (2R)-2-[(Z)-2-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethenyl]-2,3-dihydropyran-6-one

(2R)-2-[(Z)-2-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethenyl]-2,3-dihydropyran-6-one (PubChem CID 25058809) has the molecular formula C21H36O5Si and a molecular weight of 396.60 g/mol. Its IUPAC name is (2R)-2-[(Z)-2-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethenyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-[(Z)-2-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethenyl]-2,3-dihydropyran-6-one
PubChem CID25058809
Molecular FormulaC21H36O5Si
Molecular Weight396.60 g/mol
Exact Mass396.23
IUPAC Name(2R)-2-[(Z)-2-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethenyl]-2,3-dihydropyran-6-one
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@@H](/C=C\[C@H]2CC=CC(=O)O2)OC(C)(C)O1
InChIInChI=1S/C21H36O5Si/c1-15(26-27(7,8)20(2,3)4)18-14-17(24-21(5,6)25-18)13-12-16-10-9-11-19(22)23-16/h9,11-13,15-18H,10,14H2,1-8H3/b13-12-/t15-,16+,17+,18+/m0/s1
InChIKeyJUDFYRNJVFHVMX-NBILACBVSA-N
XLogP4.73
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.60
LogP ≤ 54.73
H-Bond Donors ≤ 50
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-[(Z)-2-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethenyl]-2,3-dihydropyran-6-one with MolForge

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Related Compounds

methyl (Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 16066828
methyl (E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 12192990
methyl (E)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-enoate
CID 44397378
(E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoic acid
CID 12192991
methyl (E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 14656184
methyl (Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 44397488
ethyl (E)-3-[(2R,3S,4E)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2-ethoxy-2-oxoethylidene)oxan-2-yl]prop-2-enoate
CID 15934809
ethyl (2E,4E)-5-[(2R,3S,4E)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2-ethoxy-2-oxoethylidene)oxan-2-yl]penta-2,4-dienoate
CID 15934810
ethyl (E)-3-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1,3-dioxolan-4-yl]prop-2-enoate
CID 11416659
(E)-3-[(4R,6S)-6-[(2Z,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-enal
CID 11474485
methyl (E,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-5-triethylsilyloxypent-2-enoate
CID 11624652
ethyl (E)-3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 11727653

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(Z)-2-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethenyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-[(Z)-2-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethenyl]-2,3-dihydropyran-6-one (CID 25058809) is (2R)-2-[(Z)-2-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethenyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-[(Z)-2-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethenyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-[(Z)-2-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethenyl]-2,3-dihydropyran-6-one is C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@@H](/C=C\[C@H]2CC=CC(=O)O2)OC(C)(C)O1.
What is the InChIKey of (2R)-2-[(Z)-2-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethenyl]-2,3-dihydropyran-6-one?
The InChIKey is JUDFYRNJVFHVMX-NBILACBVSA-N. The full InChI is InChI=1S/C21H36O5Si/c1-15(26-27(7,8)20(2,3)4)18-14-17(24-21(5,6)25-18)13-12-16-10-9-11-19(22)23-16/h9,11-13,15-18H,10,14H2,1-8H3/b13-12-/t15-,16+,17+,18+/m0/s1.
What are the key properties of (2R)-2-[(Z)-2-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethenyl]-2,3-dihydropyran-6-one?
(2R)-2-[(Z)-2-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethenyl]-2,3-dihydropyran-6-one has a molecular weight of 396.60 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(Z)-2-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethenyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 25058809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).