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

C18H36O4Si — CID 10003771

IUPAC1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-yl]propan-1-ol
SMILESCCC(O)[C@@H]1O[C@@H]([C@@H](C)COCOCC[Si](C)(C)C)C=C[C@@H]1C
InChIInChI=1S/C18H36O4Si/c1-7-16(19)18-14(2)8-9-17(22-18)15(3)12-21-13-20-10-11-23(4,5)6/h8-9,14-19H,7,10-13H2,1-6H3/t14-,15-,16?,17+,18+/m0/s1
InChIKeyBVKQORDEFHMBJP-GKSHWJIMSA-N
MW344.57 g/mol
LogP3.68
Rot. Bonds10

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

1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-yl]propan-1-ol (PubChem CID 10003771) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is 1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-yl]propan-1-ol.

Molecular Properties

Compound Name1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-yl]propan-1-ol
PubChem CID10003771
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-yl]propan-1-ol
SMILESCCC(O)[C@@H]1O[C@@H]([C@@H](C)COCOCC[Si](C)(C)C)C=C[C@@H]1C
InChIInChI=1S/C18H36O4Si/c1-7-16(19)18-14(2)8-9-17(22-18)15(3)12-21-13-20-10-11-23(4,5)6/h8-9,14-19H,7,10-13H2,1-6H3/t14-,15-,16?,17+,18+/m0/s1
InChIKeyBVKQORDEFHMBJP-GKSHWJIMSA-N
XLogP3.68
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 53.68
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 1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-yl]propan-1-ol?
The IUPAC name of 1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-yl]propan-1-ol (CID 10003771) is 1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-yl]propan-1-ol.
What is the SMILES notation for 1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-yl]propan-1-ol?
The canonical SMILES for 1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-yl]propan-1-ol is CCC(O)[C@@H]1O[C@@H]([C@@H](C)COCOCC[Si](C)(C)C)C=C[C@@H]1C.
What is the InChIKey of 1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-yl]propan-1-ol?
The InChIKey is BVKQORDEFHMBJP-GKSHWJIMSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-7-16(19)18-14(2)8-9-17(22-18)15(3)12-21-13-20-10-11-23(4,5)6/h8-9,14-19H,7,10-13H2,1-6H3/t14-,15-,16?,17+,18+/m0/s1.
What are the key properties of 1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-yl]propan-1-ol?
1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-yl]propan-1-ol has a molecular weight of 344.57 g/mol, XLogP of 3.68, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-yl]propan-1-ol is sourced from PubChem (CID 10003771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).