2-hydroxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-yl]ethanone

C17H32O5Si — CID 10020411

IUPAC2-hydroxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-yl]ethanone
SMILESC[C@H]1C=C[C@H]([C@@H](C)COCOCC[Si](C)(C)C)O[C@H]1C(=O)CO
InChIInChI=1S/C17H32O5Si/c1-13-6-7-16(22-17(13)15(19)10-18)14(2)11-21-12-20-8-9-23(3,4)5/h6-7,13-14,16-18H,8-12H2,1-5H3/t13-,14-,16+,17+/m0/s1
InChIKeyGQXRVQXAOPFWGZ-XJNFMUPTSA-N
MW344.52 g/mol
LogP2.47
Rot. Bonds10

About 2-hydroxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-yl]ethanone

2-hydroxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-yl]ethanone (PubChem CID 10020411) has the molecular formula C17H32O5Si and a molecular weight of 344.52 g/mol. Its IUPAC name is 2-hydroxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-yl]ethanone
PubChem CID10020411
Molecular FormulaC17H32O5Si
Molecular Weight344.52 g/mol
Exact Mass344.20
IUPAC Name2-hydroxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-yl]ethanone
SMILESC[C@H]1C=C[C@H]([C@@H](C)COCOCC[Si](C)(C)C)O[C@H]1C(=O)CO
InChIInChI=1S/C17H32O5Si/c1-13-6-7-16(22-17(13)15(19)10-18)14(2)11-21-12-20-8-9-23(3,4)5/h6-7,13-14,16-18H,8-12H2,1-5H3/t13-,14-,16+,17+/m0/s1
InChIKeyGQXRVQXAOPFWGZ-XJNFMUPTSA-N
XLogP2.47
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-Hydroxy-6-methyl-2-propan-2-yl-5-[tri(propan-2-yl)silyloxymethyl]pyran-3-one
CID 162417299
(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-carboxylic acid
CID 10359311
(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-carbaldehyde
CID 10380950
(2S)-2-[(2S)-but-3-en-2-yl]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hydroxypyran-3-one
CID 23730190
(2S)-2-[(2R)-but-3-en-2-yl]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hydroxypyran-3-one
CID 23730195

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-yl]ethanone (CID 10020411) is 2-hydroxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-yl]ethanone is C[C@H]1C=C[C@H]([C@@H](C)COCOCC[Si](C)(C)C)O[C@H]1C(=O)CO.
What is the InChIKey of 2-hydroxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-yl]ethanone?
The InChIKey is GQXRVQXAOPFWGZ-XJNFMUPTSA-N. The full InChI is InChI=1S/C17H32O5Si/c1-13-6-7-16(22-17(13)15(19)10-18)14(2)11-21-12-20-8-9-23(3,4)5/h6-7,13-14,16-18H,8-12H2,1-5H3/t13-,14-,16+,17+/m0/s1.
What are the key properties of 2-hydroxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-yl]ethanone?
2-hydroxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-yl]ethanone has a molecular weight of 344.52 g/mol, XLogP of 2.47, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-yl]ethanone is sourced from PubChem (CID 10020411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).