6-(hydroxymethyl)-5-methyl-2-propan-2-yloxyoxane-3,4-diol

C10H20O5 — CID 76593810

IUPAC6-(hydroxymethyl)-5-methyl-2-propan-2-yloxyoxane-3,4-diol
SMILESCC(C)OC1OC(CO)C(C)C(O)C1O
InChIInChI=1S/C10H20O5/c1-5(2)14-10-9(13)8(12)6(3)7(4-11)15-10/h5-13H,4H2,1-3H3
InChIKeyZJLGRZQUYOSBKG-UHFFFAOYSA-N
MW220.26 g/mol
LogP-0.51
Rot. Bonds3

About 6-(hydroxymethyl)-5-methyl-2-propan-2-yloxyoxane-3,4-diol

6-(hydroxymethyl)-5-methyl-2-propan-2-yloxyoxane-3,4-diol (PubChem CID 76593810) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is 6-(hydroxymethyl)-5-methyl-2-propan-2-yloxyoxane-3,4-diol.

Molecular Properties

Compound Name6-(hydroxymethyl)-5-methyl-2-propan-2-yloxyoxane-3,4-diol
PubChem CID76593810
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name6-(hydroxymethyl)-5-methyl-2-propan-2-yloxyoxane-3,4-diol
SMILESCC(C)OC1OC(CO)C(C)C(O)C1O
InChIInChI=1S/C10H20O5/c1-5(2)14-10-9(13)8(12)6(3)7(4-11)15-10/h5-13H,4H2,1-3H3
InChIKeyZJLGRZQUYOSBKG-UHFFFAOYSA-N
XLogP-0.51
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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
(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol
CID 162222185
6-(hydroxymethyl)-2,4,5-tri(propan-2-yloxy)oxan-3-ol
CID 159693212
(2R,3S,4S,5S)-2-(hydroxymethyl)-6-propan-2-yloxy-4-sulfanyloxane-3,5-diol
CID 20638905
(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
2-[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 122533642
6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyoxane-3,4-diol
CID 166832148
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-propan-2-yloxy-5-sulfanyloxane-3,4-diol
CID 18711285
(3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4-diol
CID 140856132

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-5-methyl-2-propan-2-yloxyoxane-3,4-diol?
The IUPAC name of 6-(hydroxymethyl)-5-methyl-2-propan-2-yloxyoxane-3,4-diol (CID 76593810) is 6-(hydroxymethyl)-5-methyl-2-propan-2-yloxyoxane-3,4-diol.
What is the SMILES notation for 6-(hydroxymethyl)-5-methyl-2-propan-2-yloxyoxane-3,4-diol?
The canonical SMILES for 6-(hydroxymethyl)-5-methyl-2-propan-2-yloxyoxane-3,4-diol is CC(C)OC1OC(CO)C(C)C(O)C1O.
What is the InChIKey of 6-(hydroxymethyl)-5-methyl-2-propan-2-yloxyoxane-3,4-diol?
The InChIKey is ZJLGRZQUYOSBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5/c1-5(2)14-10-9(13)8(12)6(3)7(4-11)15-10/h5-13H,4H2,1-3H3.
What are the key properties of 6-(hydroxymethyl)-5-methyl-2-propan-2-yloxyoxane-3,4-diol?
6-(hydroxymethyl)-5-methyl-2-propan-2-yloxyoxane-3,4-diol has a molecular weight of 220.26 g/mol, XLogP of -0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-5-methyl-2-propan-2-yloxyoxane-3,4-diol is sourced from PubChem (CID 76593810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).