5-methoxy-2-methyl-6-propan-2-yloxane-3,4-diol

C10H20O4 — CID 70847183

IUPAC5-methoxy-2-methyl-6-propan-2-yloxane-3,4-diol
SMILESCOC1C(O)C(O)C(C)OC1C(C)C
InChIInChI=1S/C10H20O4/c1-5(2)9-10(13-4)8(12)7(11)6(3)14-9/h5-12H,1-4H3
InChIKeyKPKUNQQAOFZBSH-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.17
Rot. Bonds2

About 5-methoxy-2-methyl-6-propan-2-yloxane-3,4-diol

5-methoxy-2-methyl-6-propan-2-yloxane-3,4-diol (PubChem CID 70847183) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-methoxy-2-methyl-6-propan-2-yloxane-3,4-diol.

Molecular Properties

Compound Name5-methoxy-2-methyl-6-propan-2-yloxane-3,4-diol
PubChem CID70847183
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name5-methoxy-2-methyl-6-propan-2-yloxane-3,4-diol
SMILESCOC1C(O)C(O)C(C)OC1C(C)C
InChIInChI=1S/C10H20O4/c1-5(2)9-10(13-4)8(12)7(11)6(3)14-9/h5-12H,1-4H3
InChIKeyKPKUNQQAOFZBSH-UHFFFAOYSA-N
XLogP0.17
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethoxy-2-methyl-6-propan-2-yloxan-3-ol
CID 58590815
(3S,4S,5S,6R)-3-methoxy-6-methyloxane-2,4,5-triol
CID 129188331
3-methoxy-6-propan-2-yloxane-2,4,5-triol
CID 170198927
(2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol
CID 157162950
(3R,4S,5S,6R)-4-methoxy-6-methyloxane-2,3,5-triol
CID 15558282
(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-methyloxane-2,5-diol
CID 130928120
(2R,3R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol
CID 149339632
(4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol
CID 122579164
18-(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)-18-hydroxyoctadecanoic acid
CID 70659077
(3S,4R,5S,6S)-4,5-dimethoxy-2,6-dimethyloxan-3-ol
CID 129044484
(2R,3S,4S,5S,6S)-5-methoxy-6-methyloxane-2,3,4-triol
CID 156614259
(2R,4R,5R)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol;bis((2R,4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol);methane
CID 160896392

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-6-propan-2-yloxane-3,4-diol?
The IUPAC name of 5-methoxy-2-methyl-6-propan-2-yloxane-3,4-diol (CID 70847183) is 5-methoxy-2-methyl-6-propan-2-yloxane-3,4-diol.
What is the SMILES notation for 5-methoxy-2-methyl-6-propan-2-yloxane-3,4-diol?
The canonical SMILES for 5-methoxy-2-methyl-6-propan-2-yloxane-3,4-diol is COC1C(O)C(O)C(C)OC1C(C)C.
What is the InChIKey of 5-methoxy-2-methyl-6-propan-2-yloxane-3,4-diol?
The InChIKey is KPKUNQQAOFZBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-5(2)9-10(13-4)8(12)7(11)6(3)14-9/h5-12H,1-4H3.
What are the key properties of 5-methoxy-2-methyl-6-propan-2-yloxane-3,4-diol?
5-methoxy-2-methyl-6-propan-2-yloxane-3,4-diol has a molecular weight of 204.27 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-6-propan-2-yloxane-3,4-diol is sourced from PubChem (CID 70847183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).