6-(hydroxymethyl)-2,4,5-tri(propan-2-yloxy)oxan-3-ol

C15H30O6 — CID 159693212

IUPAC6-(hydroxymethyl)-2,4,5-tri(propan-2-yloxy)oxan-3-ol
SMILESCC(C)OC1OC(CO)C(OC(C)C)C(OC(C)C)C1O
InChIInChI=1S/C15H30O6/c1-8(2)18-13-11(7-16)21-15(20-10(5)6)12(17)14(13)19-9(3)4/h8-17H,7H2,1-6H3
InChIKeyMWRFFALQIOCULO-UHFFFAOYSA-N
MW306.40 g/mol
LogP1.08
Rot. Bonds7

About 6-(hydroxymethyl)-2,4,5-tri(propan-2-yloxy)oxan-3-ol

6-(hydroxymethyl)-2,4,5-tri(propan-2-yloxy)oxan-3-ol (PubChem CID 159693212) has the molecular formula C15H30O6 and a molecular weight of 306.40 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2,4,5-tri(propan-2-yloxy)oxan-3-ol.

Molecular Properties

Compound Name6-(hydroxymethyl)-2,4,5-tri(propan-2-yloxy)oxan-3-ol
PubChem CID159693212
Molecular FormulaC15H30O6
Molecular Weight306.40 g/mol
Exact Mass306.20
IUPAC Name6-(hydroxymethyl)-2,4,5-tri(propan-2-yloxy)oxan-3-ol
SMILESCC(C)OC1OC(CO)C(OC(C)C)C(OC(C)C)C1O
InChIInChI=1S/C15H30O6/c1-8(2)18-13-11(7-16)21-15(20-10(5)6)12(17)14(13)19-9(3)4/h8-17H,7H2,1-6H3
InChIKeyMWRFFALQIOCULO-UHFFFAOYSA-N
XLogP1.08
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 51.08
H-Bond Donors ≤ 52
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
(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-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyoxane-3,4-diol
CID 166832148
6-(hydroxymethyl)-5-methyl-2-propan-2-yloxyoxane-3,4-diol
CID 76593810
(2R,3S,4S,5S)-2-(hydroxymethyl)-6-propan-2-yloxy-4-sulfanyloxane-3,5-diol
CID 20638905
(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-4,5-dimethoxy-6-propan-2-yloxyoxan-3-ol
CID 121222434
(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
(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

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-2,4,5-tri(propan-2-yloxy)oxan-3-ol?
The IUPAC name of 6-(hydroxymethyl)-2,4,5-tri(propan-2-yloxy)oxan-3-ol (CID 159693212) is 6-(hydroxymethyl)-2,4,5-tri(propan-2-yloxy)oxan-3-ol.
What is the SMILES notation for 6-(hydroxymethyl)-2,4,5-tri(propan-2-yloxy)oxan-3-ol?
The canonical SMILES for 6-(hydroxymethyl)-2,4,5-tri(propan-2-yloxy)oxan-3-ol is CC(C)OC1OC(CO)C(OC(C)C)C(OC(C)C)C1O.
What is the InChIKey of 6-(hydroxymethyl)-2,4,5-tri(propan-2-yloxy)oxan-3-ol?
The InChIKey is MWRFFALQIOCULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O6/c1-8(2)18-13-11(7-16)21-15(20-10(5)6)12(17)14(13)19-9(3)4/h8-17H,7H2,1-6H3.
What are the key properties of 6-(hydroxymethyl)-2,4,5-tri(propan-2-yloxy)oxan-3-ol?
6-(hydroxymethyl)-2,4,5-tri(propan-2-yloxy)oxan-3-ol has a molecular weight of 306.40 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-2,4,5-tri(propan-2-yloxy)oxan-3-ol is sourced from PubChem (CID 159693212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).