(1R)-1-[(2S,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol

C18H32O4Si — CID 122393359

IUPAC(1R)-1-[(2S,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol
SMILESC#C[C@H](O)[C@@H]1C=C[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1OC(C)C
InChIInChI=1S/C18H32O4Si/c1-9-16(19)15-11-10-14(22-17(15)21-13(2)3)12-20-23(7,8)18(4,5)6/h1,10-11,13-17,19H,12H2,2-8H3/t14-,15-,16-,17-/m0/s1
InChIKeyHTHMVAJKAHBZAU-QAETUUGQSA-N
MW340.54 g/mol
LogP3.32
Rot. Bonds6

About (1R)-1-[(2S,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol

(1R)-1-[(2S,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol (PubChem CID 122393359) has the molecular formula C18H32O4Si and a molecular weight of 340.54 g/mol. Its IUPAC name is (1R)-1-[(2S,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2S,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol
PubChem CID122393359
Molecular FormulaC18H32O4Si
Molecular Weight340.54 g/mol
Exact Mass340.21
IUPAC Name(1R)-1-[(2S,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol
SMILESC#C[C@H](O)[C@@H]1C=C[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1OC(C)C
InChIInChI=1S/C18H32O4Si/c1-9-16(19)15-11-10-14(22-17(15)21-13(2)3)12-20-23(7,8)18(4,5)6/h1,10-11,13-17,19H,12H2,2-8H3/t14-,15-,16-,17-/m0/s1
InChIKeyHTHMVAJKAHBZAU-QAETUUGQSA-N
XLogP3.32
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 53.32
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[(3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol
CID 122393368
(1R)-1-[(3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol
CID 122393367
(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethoxy-3,6-dihydro-2H-pyran-3-amine
CID 11162011
(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-yn-2-ol
CID 20848710
tert-butyl-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 11824133
tert-butyl-dimethyl-(2-methylbut-3-ynoxy)silane
CID 10584128
tert-butyl-[[(1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]-dimethylsilane
CID 11176597
(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)-2-propan-2-yloxy-2H-pyran-5-one
CID 71681000
[(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3,6-dihydro-2H-pyran-6-yl]methyl acetate
CID 11182171
(2S,3S,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-4-(1-phenylprop-2-ynoxy)oxolan-3-ol
CID 174923210
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
[(2R,3S,6R,7S)-6-acetyloxy-2,7-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7-tetrahydrooxepin-3-yl] acetate
CID 11755802

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol?
The IUPAC name of (1R)-1-[(2S,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol (CID 122393359) is (1R)-1-[(2S,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol.
What is the SMILES notation for (1R)-1-[(2S,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol?
The canonical SMILES for (1R)-1-[(2S,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol is C#C[C@H](O)[C@@H]1C=C[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1OC(C)C.
What is the InChIKey of (1R)-1-[(2S,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol?
The InChIKey is HTHMVAJKAHBZAU-QAETUUGQSA-N. The full InChI is InChI=1S/C18H32O4Si/c1-9-16(19)15-11-10-14(22-17(15)21-13(2)3)12-20-23(7,8)18(4,5)6/h1,10-11,13-17,19H,12H2,2-8H3/t14-,15-,16-,17-/m0/s1.
What are the key properties of (1R)-1-[(2S,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol?
(1R)-1-[(2S,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol has a molecular weight of 340.54 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]prop-2-yn-1-ol is sourced from PubChem (CID 122393359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).