(2R,3R,4R,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol

C14H30O5Si — CID 134878312

IUPAC(2R,3R,4R,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol
SMILESCO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](C)[C@@H]1O
InChIInChI=1S/C14H30O5Si/c1-9-11(15)10(19-13(17-5)12(9)16)8-18-20(6,7)14(2,3)4/h9-13,15-16H,8H2,1-7H3/t9-,10-,11-,12+,13+/m1/s1
InChIKeyISFUXXLTXCHXAF-KVSVUVNWSA-N
MW306.48 g/mol
LogP1.74
Rot. Bonds4

About (2R,3R,4R,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol

(2R,3R,4R,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol (PubChem CID 134878312) has the molecular formula C14H30O5Si and a molecular weight of 306.48 g/mol. Its IUPAC name is (2R,3R,4R,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol
PubChem CID134878312
Molecular FormulaC14H30O5Si
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Name(2R,3R,4R,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol
SMILESCO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](C)[C@@H]1O
InChIInChI=1S/C14H30O5Si/c1-9-11(15)10(19-13(17-5)12(9)16)8-18-20(6,7)14(2,3)4/h9-13,15-16H,8H2,1-7H3/t9-,10-,11-,12+,13+/m1/s1
InChIKeyISFUXXLTXCHXAF-KVSVUVNWSA-N
XLogP1.74
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-Ethylhexyl alpha-D-glucopyranoside
CID 24848590
Isopentyl beta-D-glucoside
CID 17978147
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-methylbutoxy)oxane-3,4,5-triol
CID 10848285
(S)-2-Methyl-1-butanol O-beta-D-Glucopyranoside
CID 13944077
(2R,3R,4S,5S,6R)-2-[(3S)-4-hydroxy-3-[(1S)-1-hydroxyethyl]-4-methylpentoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11067294
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S)-2-methylbutoxy]oxane-3,4,5-triol
CID 100916135
2-Butoxy-4,6-dimethyloxane-3,4,5-triol
CID 162936951
(2R,3R,4S,5S,6R)-2-[(3R)-3-ethyl-4-hydroxy-4-methylpentoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 163039823
2-(Trimethylsilyl)ethyl beta-galactopyranoside
CID 3082836
2-Methylbutyl beta-D-glucopyranoside
CID 13944078
Methylcladinoside
CID 70005079
alpha-D-Glucopyranoside, 1-O-methyl-2,3,4-tri-O-trimethylsilyl-
CID 11047886

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol?
The IUPAC name of (2R,3R,4R,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol (CID 134878312) is (2R,3R,4R,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol.
What is the SMILES notation for (2R,3R,4R,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol?
The canonical SMILES for (2R,3R,4R,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol is CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](C)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol?
The InChIKey is ISFUXXLTXCHXAF-KVSVUVNWSA-N. The full InChI is InChI=1S/C14H30O5Si/c1-9-11(15)10(19-13(17-5)12(9)16)8-18-20(6,7)14(2,3)4/h9-13,15-16H,8H2,1-7H3/t9-,10-,11-,12+,13+/m1/s1.
What are the key properties of (2R,3R,4R,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol?
(2R,3R,4R,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol has a molecular weight of 306.48 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol is sourced from PubChem (CID 134878312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).