(2S,3S)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol

C15H30O4Si — CID 11120199

IUPAC(2S,3S)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol
SMILESCOC1C=C[C@H](O)[C@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H30O4Si/c1-11(19-20(6,7)15(2,3)4)10-13-12(16)8-9-14(17-5)18-13/h8-9,11-14,16H,10H2,1-7H3/t11-,12+,13+,14?/m1/s1
InChIKeyJDCGFNDWCJATAN-PYXFJAETSA-N
MW302.49 g/mol
LogP3.08
Rot. Bonds5

About (2S,3S)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol

(2S,3S)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol (PubChem CID 11120199) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is (2S,3S)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol
PubChem CID11120199
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name(2S,3S)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol
SMILESCOC1C=C[C@H](O)[C@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H30O4Si/c1-11(19-20(6,7)15(2,3)4)10-13-12(16)8-9-14(17-5)18-13/h8-9,11-14,16H,10H2,1-7H3/t11-,12+,13+,14?/m1/s1
InChIKeyJDCGFNDWCJATAN-PYXFJAETSA-N
XLogP3.08
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

6-hex-5-enoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
CID 388311
(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-ol
CID 11748235
2-(tert-Butyl-dimethyl-silanyloxy)-7-methoxymethoxy-undec-4-en-6-ol (2)
CID 24864792
(2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)nona-2,8-dien-1-ol
CID 46197055
(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethanol
CID 101259942
(4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-prop-1-enyl]oxolane-2,4-diol
CID 134831987
(1S,4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-4-(methoxymethoxy)cyclohex-2-en-1-ol
CID 134836901
(E)-3-[(4R,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethoxymethoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 134887319
8-[Tert-butyl(dimethyl)silyl]oxy-1,4-dioxaspiro[4.5]dec-8-en-7-ol
CID 135042829
(1S)-1-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,4-trimethoxycyclobuten-1-yl]ethanol
CID 139184179
2-[6-[6-(tert-Butyldimethylsilanyloxy)hept-1-enyl]-3-(2-methoxyethoxymethoxy) tetrahydropyran-2-yl]ethanol
CID 145864151
2-(tert-Butyl-dimethyl-silanyloxy)-7-methoxymethoxy-undec-4-en-6-ol
CID 145927273

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (2S,3S)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol (CID 11120199) is (2S,3S)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2S,3S)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2S,3S)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol is COC1C=C[C@H](O)[C@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (2S,3S)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is JDCGFNDWCJATAN-PYXFJAETSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-11(19-20(6,7)15(2,3)4)10-13-12(16)8-9-14(17-5)18-13/h8-9,11-14,16H,10H2,1-7H3/t11-,12+,13+,14?/m1/s1.
What are the key properties of (2S,3S)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol?
(2S,3S)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 302.49 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 11120199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).