(E,5R)-6-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-5-triethylsilyloxyhex-2-enal

C17H28O4Si — CID 134955049

IUPAC(E,5R)-6-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-5-triethylsilyloxyhex-2-enal
SMILESCC[Si](CC)(CC)O[C@H](C/C=C/C=O)C[C@H]1CC=CC(=O)O1
InChIInChI=1S/C17H28O4Si/c1-4-22(5-2,6-3)21-16(10-7-8-13-18)14-15-11-9-12-17(19)20-15/h7-9,12-13,15-16H,4-6,10-11,14H2,1-3H3/b8-7+/t15-,16-/m1/s1
InChIKeyLLIAUMPHTHDWML-XLBHYRNJSA-N
MW324.49 g/mol
LogP3.78
Rot. Bonds10

About (E,5R)-6-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-5-triethylsilyloxyhex-2-enal

(E,5R)-6-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-5-triethylsilyloxyhex-2-enal (PubChem CID 134955049) has the molecular formula C17H28O4Si and a molecular weight of 324.49 g/mol. Its IUPAC name is (E,5R)-6-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-5-triethylsilyloxyhex-2-enal.

Molecular Properties

Compound Name(E,5R)-6-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-5-triethylsilyloxyhex-2-enal
PubChem CID134955049
Molecular FormulaC17H28O4Si
Molecular Weight324.49 g/mol
Exact Mass324.18
IUPAC Name(E,5R)-6-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-5-triethylsilyloxyhex-2-enal
SMILESCC[Si](CC)(CC)O[C@H](C/C=C/C=O)C[C@H]1CC=CC(=O)O1
InChIInChI=1S/C17H28O4Si/c1-4-22(5-2,6-3)21-16(10-7-8-13-18)14-15-11-9-12-17(19)20-15/h7-9,12-13,15-16H,4-6,10-11,14H2,1-3H3/b8-7+/t15-,16-/m1/s1
InChIKeyLLIAUMPHTHDWML-XLBHYRNJSA-N
XLogP3.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E,5R)-6-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-5-triethylsilyloxyhex-2-enal with MolForge

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Launch Full Analysis

Related Compounds

methyl (E)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-enoate
CID 44397378
[(E,2R)-1-[(2R)-6-oxo-2,3-dihydropyran-2-yl]hept-4-en-2-yl] acetate
CID 162908382
(3Z,5E,8S,9E,11Z,14S,16R,17E,19E,24R)-8-[tert-butyl(dimethyl)silyl]oxy-24-methyl-14,16-bis(triethylsilyloxy)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
CID 10974685
(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-6-one
CID 11107972
methyl (E)-3-[(2R,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxiran-2-yl]prop-2-enoate
CID 11108924
dimethyl (2E,7E)-5-triethylsilyloxynona-2,7-dienedioate
CID 11522999
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 23642892
ethyl (E,5S,7R)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyoct-2-enoate
CID 24756275
ethyl (E,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)oct-2-enoate
CID 46218226
ethyl (E,5S,7R)-7-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoyl]oxy-5-(methoxymethoxy)oct-2-enoate
CID 46218228
(2S)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-6-one
CID 53343689
methyl (2Z,5R)-5-[[(3S)-hept-1-en-3-yl]oxy-di(propan-2-yl)silyl]oxyhepta-2,6-dienoate
CID 71739272

Frequently Asked Questions

What is the IUPAC name of (E,5R)-6-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-5-triethylsilyloxyhex-2-enal?
The IUPAC name of (E,5R)-6-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-5-triethylsilyloxyhex-2-enal (CID 134955049) is (E,5R)-6-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-5-triethylsilyloxyhex-2-enal.
What is the SMILES notation for (E,5R)-6-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-5-triethylsilyloxyhex-2-enal?
The canonical SMILES for (E,5R)-6-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-5-triethylsilyloxyhex-2-enal is CC[Si](CC)(CC)O[C@H](C/C=C/C=O)C[C@H]1CC=CC(=O)O1.
What is the InChIKey of (E,5R)-6-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-5-triethylsilyloxyhex-2-enal?
The InChIKey is LLIAUMPHTHDWML-XLBHYRNJSA-N. The full InChI is InChI=1S/C17H28O4Si/c1-4-22(5-2,6-3)21-16(10-7-8-13-18)14-15-11-9-12-17(19)20-15/h7-9,12-13,15-16H,4-6,10-11,14H2,1-3H3/b8-7+/t15-,16-/m1/s1.
What are the key properties of (E,5R)-6-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-5-triethylsilyloxyhex-2-enal?
(E,5R)-6-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-5-triethylsilyloxyhex-2-enal has a molecular weight of 324.49 g/mol, XLogP of 3.78, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R)-6-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-5-triethylsilyloxyhex-2-enal is sourced from PubChem (CID 134955049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).