5-tert-butyl-6-(hydroxymethyl)oxane-2,3,4-triol

C10H20O5 — CID 131967102

IUPAC5-tert-butyl-6-(hydroxymethyl)oxane-2,3,4-triol
SMILESCC(C)(C)C1C(CO)OC(O)C(O)C1O
InChIInChI=1S/C10H20O5/c1-10(2,3)6-5(4-11)15-9(14)8(13)7(6)12/h5-9,11-14H,4H2,1-3H3
InChIKeyWLJIGMLNEVSNEU-UHFFFAOYSA-N
MW220.26 g/mol
LogP-0.92
Rot. Bonds1

About 5-tert-butyl-6-(hydroxymethyl)oxane-2,3,4-triol

5-tert-butyl-6-(hydroxymethyl)oxane-2,3,4-triol (PubChem CID 131967102) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is 5-tert-butyl-6-(hydroxymethyl)oxane-2,3,4-triol.

Molecular Properties

Compound Name5-tert-butyl-6-(hydroxymethyl)oxane-2,3,4-triol
PubChem CID131967102
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name5-tert-butyl-6-(hydroxymethyl)oxane-2,3,4-triol
SMILESCC(C)(C)C1C(CO)OC(O)C(O)C1O
InChIInChI=1S/C10H20O5/c1-10(2,3)6-5(4-11)15-9(14)8(13)7(6)12/h5-9,11-14H,4H2,1-3H3
InChIKeyWLJIGMLNEVSNEU-UHFFFAOYSA-N
XLogP-0.92
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

6-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)oxane-2,3,4-triol
CID 129082603
(3S,4R,6R)-5-tert-butyl-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 159891300
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593
(2S)-4-(hydroxymethyl)oxetane-2,3-diol
CID 130341188
ethanol;(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 167433871

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6-(hydroxymethyl)oxane-2,3,4-triol?
The IUPAC name of 5-tert-butyl-6-(hydroxymethyl)oxane-2,3,4-triol (CID 131967102) is 5-tert-butyl-6-(hydroxymethyl)oxane-2,3,4-triol.
What is the SMILES notation for 5-tert-butyl-6-(hydroxymethyl)oxane-2,3,4-triol?
The canonical SMILES for 5-tert-butyl-6-(hydroxymethyl)oxane-2,3,4-triol is CC(C)(C)C1C(CO)OC(O)C(O)C1O.
What is the InChIKey of 5-tert-butyl-6-(hydroxymethyl)oxane-2,3,4-triol?
The InChIKey is WLJIGMLNEVSNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5/c1-10(2,3)6-5(4-11)15-9(14)8(13)7(6)12/h5-9,11-14H,4H2,1-3H3.
What are the key properties of 5-tert-butyl-6-(hydroxymethyl)oxane-2,3,4-triol?
5-tert-butyl-6-(hydroxymethyl)oxane-2,3,4-triol has a molecular weight of 220.26 g/mol, XLogP of -0.92, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6-(hydroxymethyl)oxane-2,3,4-triol is sourced from PubChem (CID 131967102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).