6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyoxane-3,4-diol

C13H26O6 — CID 166832148

IUPAC6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyoxane-3,4-diol
SMILESCC(C)OC1OC(CO)C(OC(C)(C)C)C(O)C1O
InChIInChI=1S/C13H26O6/c1-7(2)17-12-10(16)9(15)11(8(6-14)18-12)19-13(3,4)5/h7-12,14-16H,6H2,1-5H3
InChIKeyGAKPHCGOLBIEPS-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.03
Rot. Bonds4

About 6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyoxane-3,4-diol

6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyoxane-3,4-diol (PubChem CID 166832148) has the molecular formula C13H26O6 and a molecular weight of 278.35 g/mol. Its IUPAC name is 6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyoxane-3,4-diol.

Molecular Properties

Compound Name6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyoxane-3,4-diol
PubChem CID166832148
Molecular FormulaC13H26O6
Molecular Weight278.35 g/mol
Exact Mass278.17
IUPAC Name6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyoxane-3,4-diol
SMILESCC(C)OC1OC(CO)C(OC(C)(C)C)C(O)C1O
InChIInChI=1S/C13H26O6/c1-7(2)17-12-10(16)9(15)11(8(6-14)18-12)19-13(3,4)5/h7-12,14-16H,6H2,1-5H3
InChIKeyGAKPHCGOLBIEPS-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

(2R,4R,5S)-2-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-propan-2-yloxyoxan-3-yl]oxy-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-propan-2-yloxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol
CID 118580562
6-(hydroxymethyl)-2,4,5-tri(propan-2-yloxy)oxan-3-ol
CID 159693212
(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-(hydroxymethyl)-5-methyl-2-propan-2-yloxyoxane-3,4-diol
CID 76593810
[4-hydroxy-6-(hydroxymethyl)-2,5-bis[(2-methylpropan-2-yl)oxy]oxan-3-yl]azanium
CID 153303924
4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxy]-6-propan-2-yloxyoxane-2-carboxylic acid
CID 155235961
(2R,4S,5S)-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 174111415
(2S,3R,4R,5S,6R)-5-[(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-propan-2-yloxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol
CID 89002434
2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-yloxyoxane-3,4,5-triol
CID 134475233

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyoxane-3,4-diol?
The IUPAC name of 6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyoxane-3,4-diol (CID 166832148) is 6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyoxane-3,4-diol.
What is the SMILES notation for 6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyoxane-3,4-diol?
The canonical SMILES for 6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyoxane-3,4-diol is CC(C)OC1OC(CO)C(OC(C)(C)C)C(O)C1O.
What is the InChIKey of 6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyoxane-3,4-diol?
The InChIKey is GAKPHCGOLBIEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O6/c1-7(2)17-12-10(16)9(15)11(8(6-14)18-12)19-13(3,4)5/h7-12,14-16H,6H2,1-5H3.
What are the key properties of 6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyoxane-3,4-diol?
6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyoxane-3,4-diol 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 6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyoxane-3,4-diol is sourced from PubChem (CID 166832148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).