methyl (2S,3S,6S)-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate

C18H24O3Si — CID 11472561

IUPACmethyl (2S,3S,6S)-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)[C@@H]1C=C[C@H](C)[C@@H](/C=C/[Si](C)(C)c2ccccc2)O1
InChIInChI=1S/C18H24O3Si/c1-14-10-11-17(18(19)20-2)21-16(14)12-13-22(3,4)15-8-6-5-7-9-15/h5-14,16-17H,1-4H3/b13-12+/t14-,16+,17-/m0/s1
InChIKeyXKQPSUFPAQMALW-IOLIEHITSA-N
MW316.47 g/mol
LogP2.83
Rot. Bonds4

About methyl (2S,3S,6S)-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate

methyl (2S,3S,6S)-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate (PubChem CID 11472561) has the molecular formula C18H24O3Si and a molecular weight of 316.47 g/mol. Its IUPAC name is methyl (2S,3S,6S)-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3S,6S)-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate
PubChem CID11472561
Molecular FormulaC18H24O3Si
Molecular Weight316.47 g/mol
Exact Mass316.15
IUPAC Namemethyl (2S,3S,6S)-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)[C@@H]1C=C[C@H](C)[C@@H](/C=C/[Si](C)(C)c2ccccc2)O1
InChIInChI=1S/C18H24O3Si/c1-14-10-11-17(18(19)20-2)21-16(14)12-13-22(3,4)15-8-6-5-7-9-15/h5-14,16-17H,1-4H3/b13-12+/t14-,16+,17-/m0/s1
InChIKeyXKQPSUFPAQMALW-IOLIEHITSA-N
XLogP2.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S,3S,6S)-3-methyl-2-[(E)-1-phenylprop-1-en-2-yl]-3,6-dihydro-2H-pyran-6-carboxylate
CID 15441280
methyl (2S,3R,6S)-3-methyl-2-(2-phenylmethoxyethyl)-3,6-dihydro-2H-pyran-6-carboxylate
CID 25258640
(E)-3-[dimethyl(phenyl)silyl]prop-2-enoic acid
CID 10104447
(E)-1-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-one
CID 23649548
[(E)-2-cyclohexylethenyl]-dimethyl-phenylsilane
CID 135044086
methyl (E)-3-[(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxiran-2-yl]prop-2-enoate
CID 15807828
methyl (2S,4R,5S,6R)-6-[(E)-2-(benzenesulfonyl)ethenyl]-4-hydroxy-3,5-dimethyloxane-2-carboxylate
CID 130360844
methyl (2R,3S,6R)-2-butyl-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate
CID 11148550
methyl (2S,6S)-2-methyl-3,6-dihydro-2H-pyran-6-carboxylate
CID 131850418
methyl 4-methyl-5-phenylcyclohex-2-ene-1-carboxylate
CID 58517085
(Z)-6-[dimethyl(phenyl)silyl]hex-5-en-2-one
CID 56926435
1-[4-[(Z)-2-[dimethyl(phenyl)silyl]ethenyl]phenyl]ethanone
CID 11652058

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S,6S)-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate?
The IUPAC name of methyl (2S,3S,6S)-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate (CID 11472561) is methyl (2S,3S,6S)-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate.
What is the SMILES notation for methyl (2S,3S,6S)-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate?
The canonical SMILES for methyl (2S,3S,6S)-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate is COC(=O)[C@@H]1C=C[C@H](C)[C@@H](/C=C/[Si](C)(C)c2ccccc2)O1.
What is the InChIKey of methyl (2S,3S,6S)-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate?
The InChIKey is XKQPSUFPAQMALW-IOLIEHITSA-N. The full InChI is InChI=1S/C18H24O3Si/c1-14-10-11-17(18(19)20-2)21-16(14)12-13-22(3,4)15-8-6-5-7-9-15/h5-14,16-17H,1-4H3/b13-12+/t14-,16+,17-/m0/s1.
What are the key properties of methyl (2S,3S,6S)-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate?
methyl (2S,3S,6S)-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate has a molecular weight of 316.47 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S,6S)-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate is sourced from PubChem (CID 11472561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).