2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-yloxyoxane-3,4,5-triol

C13H26O6 — CID 134475233

IUPAC2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-yloxyoxane-3,4,5-triol
SMILESCC(C)OC1OC(COC(C)(C)C)C(O)C(O)C1O
InChIInChI=1S/C13H26O6/c1-7(2)18-12-11(16)10(15)9(14)8(19-12)6-17-13(3,4)5/h7-12,14-16H,6H2,1-5H3
InChIKeyZUISPZYAMMIRGU-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.03
Rot. Bonds4

About 2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-yloxyoxane-3,4,5-triol

2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-yloxyoxane-3,4,5-triol (PubChem CID 134475233) has the molecular formula C13H26O6 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-yloxyoxane-3,4,5-triol.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-yloxyoxane-3,4,5-triol
PubChem CID134475233
Molecular FormulaC13H26O6
Molecular Weight278.35 g/mol
Exact Mass278.17
IUPAC Name2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-yloxyoxane-3,4,5-triol
SMILESCC(C)OC1OC(COC(C)(C)C)C(O)C(O)C1O
InChIInChI=1S/C13H26O6/c1-7(2)18-12-11(16)10(15)9(14)8(19-12)6-17-13(3,4)5/h7-12,14-16H,6H2,1-5H3
InChIKeyZUISPZYAMMIRGU-UHFFFAOYSA-N
XLogP0.03
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,5S,6S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 59515148
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 54363528
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 57310038
(3S,4S,5S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 58132951
6-[(2-methylpropan-2-yl)oxymethyl]oxane-2,3,4,5-tetrol
CID 90907126
2-tert-butyl-6-[[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 58624972
3-hydroxy-3-methyl-5-oxo-5-[(3,4,5-trihydroxy-6-propan-2-yloxyoxan-2-yl)methoxy]pentanoic acid
CID 51136583
6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyoxane-3,4-diol
CID 166832148
(3R,4R,6R)-2-(azidomethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 58479315
[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-propan-2-yloxyoxan-2-yl]methyl hexadecanoate
CID 18650132
6-(hydroxymethyl)-5-methyl-2-propan-2-yloxyoxane-3,4-diol
CID 76593810
(2R,3S,4S,5S)-2-methyl-6-propan-2-yloxyoxane-3,4,5-triol
CID 171600108

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-yloxyoxane-3,4,5-triol?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-yloxyoxane-3,4,5-triol (CID 134475233) is 2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-yloxyoxane-3,4,5-triol.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-yloxyoxane-3,4,5-triol?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-yloxyoxane-3,4,5-triol is CC(C)OC1OC(COC(C)(C)C)C(O)C(O)C1O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-yloxyoxane-3,4,5-triol?
The InChIKey is ZUISPZYAMMIRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O6/c1-7(2)18-12-11(16)10(15)9(14)8(19-12)6-17-13(3,4)5/h7-12,14-16H,6H2,1-5H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-yloxyoxane-3,4,5-triol?
2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-yloxyoxane-3,4,5-triol has a molecular weight of 278.35 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-yloxyoxane-3,4,5-triol is sourced from PubChem (CID 134475233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).