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

C18H34O3Si2 — CID 122393368

IUPAC(1S)-1-[(3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C=C[C@H]([C@H](O)C#C[Si](C)(C)C)CO1
InChIInChI=1S/C18H34O3Si2/c1-18(2,3)23(7,8)21-14-16-10-9-15(13-20-16)17(19)11-12-22(4,5)6/h9-10,15-17,19H,13-14H2,1-8H3/t15-,16-,17+/m0/s1
InChIKeyBXCDAEGEXYMWKB-YESZJQIVSA-N
MW354.64 g/mol
LogP3.82
Rot. Bonds4

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

(1S)-1-[(3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol (PubChem CID 122393368) has the molecular formula C18H34O3Si2 and a molecular weight of 354.64 g/mol. Its IUPAC name is (1S)-1-[(3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol.

Molecular Properties

Compound Name(1S)-1-[(3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol
PubChem CID122393368
Molecular FormulaC18H34O3Si2
Molecular Weight354.64 g/mol
Exact Mass354.20
IUPAC Name(1S)-1-[(3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C=C[C@H]([C@H](O)C#C[Si](C)(C)C)CO1
InChIInChI=1S/C18H34O3Si2/c1-18(2,3)23(7,8)21-14-16-10-9-15(13-20-16)17(19)11-12-22(4,5)6/h9-10,15-17,19H,13-14H2,1-8H3/t15-,16-,17+/m0/s1
InChIKeyBXCDAEGEXYMWKB-YESZJQIVSA-N
XLogP3.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.64
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(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
(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
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 15363416
(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylpent-4-yne-1,2-diol
CID 102143532
(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-trimethylsilylpent-1-yn-3-ol
CID 71561744
tert-butyl-dimethyl-[(1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-ynoxy]silane
CID 10946011
cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol
CID 59483083
(1S)-1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclopentyl]-3-trimethylsilylprop-2-yn-1-ol
CID 10925810
tert-butyl-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 11824133
tert-butyl-(cyclohex-3-en-1-ylmethoxy)-dimethylsilane
CID 11229886
(3S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(iodomethyl)oxolan-3-ol
CID 10595438
1-[tert-butyl(dimethyl)silyl]oxy-9-trimethylsilylnon-8-yn-4-ol
CID 71427896

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol?
The IUPAC name of (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) is (1S)-1-[(3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol.
What is the SMILES notation for (1S)-1-[(3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol?
The canonical SMILES for (1S)-1-[(3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol is CC(C)(C)[Si](C)(C)OC[C@@H]1C=C[C@H]([C@H](O)C#C[Si](C)(C)C)CO1.
What is the InChIKey of (1S)-1-[(3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol?
The InChIKey is BXCDAEGEXYMWKB-YESZJQIVSA-N. The full InChI is InChI=1S/C18H34O3Si2/c1-18(2,3)23(7,8)21-14-16-10-9-15(13-20-16)17(19)11-12-22(4,5)6/h9-10,15-17,19H,13-14H2,1-8H3/t15-,16-,17+/m0/s1.
What are the key properties of (1S)-1-[(3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol?
(1S)-1-[(3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol has a molecular weight of 354.64 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol is sourced from PubChem (CID 122393368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).