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

C16H30O5Si — CID 10359311

IUPAC(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-carboxylic acid
SMILESC[C@H]1C=C[C@H]([C@@H](C)COCOCC[Si](C)(C)C)O[C@H]1C(=O)O
InChIInChI=1S/C16H30O5Si/c1-12-6-7-14(21-15(12)16(17)18)13(2)10-20-11-19-8-9-22(3,4)5/h6-7,12-15H,8-11H2,1-5H3,(H,17,18)/t12-,13-,14+,15+/m0/s1
InChIKeyOMQDWPURKBEWPY-BYNSBNAKSA-N
MW330.50 g/mol
LogP3.00
Rot. Bonds9

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

(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-carboxylic acid (PubChem CID 10359311) has the molecular formula C16H30O5Si and a molecular weight of 330.50 g/mol. Its IUPAC name is (2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-carboxylic acid
PubChem CID10359311
Molecular FormulaC16H30O5Si
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC Name(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-carboxylic acid
SMILESC[C@H]1C=C[C@H]([C@@H](C)COCOCC[Si](C)(C)C)O[C@H]1C(=O)O
InChIInChI=1S/C16H30O5Si/c1-12-6-7-14(21-15(12)16(17)18)13(2)10-20-11-19-8-9-22(3,4)5/h6-7,12-15H,8-11H2,1-5H3,(H,17,18)/t12-,13-,14+,15+/m0/s1
InChIKeyOMQDWPURKBEWPY-BYNSBNAKSA-N
XLogP3.00
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-carboxylic acid?
The IUPAC name of (2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-carboxylic acid (CID 10359311) is (2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-carboxylic acid.
What is the SMILES notation for (2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-carboxylic acid?
The canonical SMILES for (2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-carboxylic acid is C[C@H]1C=C[C@H]([C@@H](C)COCOCC[Si](C)(C)C)O[C@H]1C(=O)O.
What is the InChIKey of (2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-carboxylic acid?
The InChIKey is OMQDWPURKBEWPY-BYNSBNAKSA-N. The full InChI is InChI=1S/C16H30O5Si/c1-12-6-7-14(21-15(12)16(17)18)13(2)10-20-11-19-8-9-22(3,4)5/h6-7,12-15H,8-11H2,1-5H3,(H,17,18)/t12-,13-,14+,15+/m0/s1.
What are the key properties of (2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-carboxylic acid?
(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-carboxylic acid has a molecular weight of 330.50 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-carboxylic acid is sourced from PubChem (CID 10359311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).