4,5-dimethoxy-2-methyl-6-propan-2-yloxan-3-ol

C11H22O4 — CID 58590815

IUPAC4,5-dimethoxy-2-methyl-6-propan-2-yloxan-3-ol
SMILESCOC1C(O)C(C)OC(C(C)C)C1OC
InChIInChI=1S/C11H22O4/c1-6(2)9-11(14-5)10(13-4)8(12)7(3)15-9/h6-12H,1-5H3
InChIKeyDJVDBGSEJXXMDT-UHFFFAOYSA-N
MW218.29 g/mol
LogP0.82
Rot. Bonds3

About 4,5-dimethoxy-2-methyl-6-propan-2-yloxan-3-ol

4,5-dimethoxy-2-methyl-6-propan-2-yloxan-3-ol (PubChem CID 58590815) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 4,5-dimethoxy-2-methyl-6-propan-2-yloxan-3-ol.

Molecular Properties

Compound Name4,5-dimethoxy-2-methyl-6-propan-2-yloxan-3-ol
PubChem CID58590815
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name4,5-dimethoxy-2-methyl-6-propan-2-yloxan-3-ol
SMILESCOC1C(O)C(C)OC(C(C)C)C1OC
InChIInChI=1S/C11H22O4/c1-6(2)9-11(14-5)10(13-4)8(12)7(3)15-9/h6-12H,1-5H3
InChIKeyDJVDBGSEJXXMDT-UHFFFAOYSA-N
XLogP0.82
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-methyl-6-propan-2-yloxane-3,4-diol
CID 70847183
(3S,4R,5S,6S)-4,5-dimethoxy-2,6-dimethyloxan-3-ol
CID 129044484
(2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol
CID 157162950
(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-methyloxane-2,5-diol
CID 130928120
(2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol
CID 13122553
(3R,4S,5S,6R)-4-methoxy-6-methyloxane-2,3,5-triol
CID 15558282
3-methoxy-6-propan-2-yloxane-2,4,5-triol
CID 170198927
(3S,4S,5S,6R)-3-methoxy-6-methyloxane-2,4,5-triol
CID 129188331
(2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol
CID 129044489
[(2R,3R,4R,5R,6S)-2,5-dihydroxy-4-methoxy-6-methyloxan-3-yl] acetate
CID 91857368
(2S,3R,4R,5R,6R)-5-fluoro-4,6-dimethoxy-2-methyloxan-3-ol
CID 130757739
(3S,4R)-3,5-dihydroxy-4-methoxy-6-methyloxane-2-carboxylic acid
CID 122579172

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-methyl-6-propan-2-yloxan-3-ol?
The IUPAC name of 4,5-dimethoxy-2-methyl-6-propan-2-yloxan-3-ol (CID 58590815) is 4,5-dimethoxy-2-methyl-6-propan-2-yloxan-3-ol.
What is the SMILES notation for 4,5-dimethoxy-2-methyl-6-propan-2-yloxan-3-ol?
The canonical SMILES for 4,5-dimethoxy-2-methyl-6-propan-2-yloxan-3-ol is COC1C(O)C(C)OC(C(C)C)C1OC.
What is the InChIKey of 4,5-dimethoxy-2-methyl-6-propan-2-yloxan-3-ol?
The InChIKey is DJVDBGSEJXXMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-6(2)9-11(14-5)10(13-4)8(12)7(3)15-9/h6-12H,1-5H3.
What are the key properties of 4,5-dimethoxy-2-methyl-6-propan-2-yloxan-3-ol?
4,5-dimethoxy-2-methyl-6-propan-2-yloxan-3-ol has a molecular weight of 218.29 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-methyl-6-propan-2-yloxan-3-ol is sourced from PubChem (CID 58590815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).