6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol

C15H28O6 — CID 162710756

IUPAC6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol
SMILESCC(C)C1CC(OC2CC(O)C(O)C(C)O2)C(O)C(C)O1
InChIInChI=1S/C15H28O6/c1-7(2)11-6-12(15(18)9(4)19-11)21-13-5-10(16)14(17)8(3)20-13/h7-18H,5-6H2,1-4H3
InChIKeyJSKKBMPBPAYSLL-UHFFFAOYSA-N
MW304.38 g/mol
LogP0.42
Rot. Bonds3

About 6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol

6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol (PubChem CID 162710756) has the molecular formula C15H28O6 and a molecular weight of 304.38 g/mol. Its IUPAC name is 6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol.

Molecular Properties

Compound Name6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol
PubChem CID162710756
Molecular FormulaC15H28O6
Molecular Weight304.38 g/mol
Exact Mass304.19
IUPAC Name6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol
SMILESCC(C)C1CC(OC2CC(O)C(O)C(C)O2)C(O)C(C)O1
InChIInChI=1S/C15H28O6/c1-7(2)11-6-12(15(18)9(4)19-11)21-13-5-10(16)14(17)8(3)20-13/h7-18H,5-6H2,1-4H3
InChIKeyJSKKBMPBPAYSLL-UHFFFAOYSA-N
XLogP0.42
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S,4R,6R)-6-[(2R,3R,4R,6S)-3,6-dihydroxy-2-methyloxan-4-yl]oxy-2-methyloxane-3,4-diol
CID 91848517
(3S,6S)-6-[(3R,6S)-3-hydroxy-2,6-dimethyloxan-4-yl]oxy-2-methyloxane-3,4-diol
CID 70898410
6-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methyloxane-3,4-diol
CID 163002140
(2R,4R,5S,6R)-5-[(2S,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol
CID 156615582
bis((3R,4R,6S)-2,6-dimethyloxane-3,4-diol);(3R,4S,6S)-6-[(3R,4R,6S)-3-hydroxy-2,6-dimethyloxan-4-yl]oxy-2,4-dimethyloxane-3,4-diol;(3R,4S,6S)-6-[(3S,4R,6S)-3-hydroxy-2,6-dimethyloxan-4-yl]oxy-2,4-dimethyloxane-3,4-diol;(3R,4S,6S)-6-[(3S,4S,6S)-3-hydroxy-2,6-dimethyloxan-4-yl]oxy-2,4-dimethyloxane-3,4-diol;(3S,4R,6S)-6-[(3R,4R,6S)-3-hydroxy-2,6-dimethyloxan-4-yl]oxy-2-methyloxane-3,4-diol;(3S,4R,6S)-6-[(3S,4R,6S)-3-hydroxy-2,6-dimethyloxan-4-yl]oxy-2-methyloxane-3,4-diol;(3R,4S,6S)-2,4,6-trimethyloxane-3,4-diol
CID 157381850
(2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol
CID 12775768
(3S,4R,6R)-4-amino-2-methyl-6-propan-2-yloxan-3-ol
CID 89411156
(2S,3R,4S,6R)-4-amino-2-methyl-6-propan-2-yloxan-3-ol
CID 134195892
[(4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl] hypofluorite
CID 67929975
[4-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6-methoxy-2-methyloxan-3-yl] acetate
CID 20577436
(4S,5S,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol
CID 91853555
(2R,3S,4R,6R)-6-ethoxy-2-methyloxane-3,4-diol
CID 11030343

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol?
The IUPAC name of 6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol (CID 162710756) is 6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol.
What is the SMILES notation for 6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol?
The canonical SMILES for 6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol is CC(C)C1CC(OC2CC(O)C(O)C(C)O2)C(O)C(C)O1.
What is the InChIKey of 6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol?
The InChIKey is JSKKBMPBPAYSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O6/c1-7(2)11-6-12(15(18)9(4)19-11)21-13-5-10(16)14(17)8(3)20-13/h7-18H,5-6H2,1-4H3.
What are the key properties of 6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol?
6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol has a molecular weight of 304.38 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol is sourced from PubChem (CID 162710756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).