(2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol

C9H18O4 — CID 129044489

IUPAC(2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol
SMILESCOC1C(O)[C@@H](OC)C(C)O[C@H]1C
InChIInChI=1S/C9H18O4/c1-5-8(11-3)7(10)9(12-4)6(2)13-5/h5-10H,1-4H3/t5-,6?,7?,8?,9-/m0/s1
InChIKeyHQYAZMDAHYMAPA-SCWZNRCBSA-N
MW190.24 g/mol
LogP0.18
Rot. Bonds2

About (2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol

(2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol (PubChem CID 129044489) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol.

Molecular Properties

Compound Name(2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol
PubChem CID129044489
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name(2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol
SMILESCOC1C(O)[C@@H](OC)C(C)O[C@H]1C
InChIInChI=1S/C9H18O4/c1-5-8(11-3)7(10)9(12-4)6(2)13-5/h5-10H,1-4H3/t5-,6?,7?,8?,9-/m0/s1
InChIKeyHQYAZMDAHYMAPA-SCWZNRCBSA-N
XLogP0.18
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol
CID 157162950
(3S)-3,4,5-trimethoxy-2,6-dimethyloxane
CID 129044476
(3S)-4-methoxy-3-methyl-2,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 122596436
(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);(2R,4R,5S)-5-methoxy-2,6-dimethyloxane-3,4-diol
CID 157104198
(2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol
CID 13122553
(3S,4S,5S,6R)-3-methoxy-6-methyloxane-2,4,5-triol
CID 129188331
(3R,4S,5S,6R)-4-methoxy-6-methyloxane-2,3,5-triol
CID 15558282
ethane;(2R,5S)-3,4,5-trimethoxy-6-methyloxan-2-ol
CID 142172396
(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-methyloxane-2,5-diol
CID 130928120
(2S,4S,5R,6S)-5-methoxy-6-methyloxane-2,4-diol
CID 21158721

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol?
The IUPAC name of (2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol (CID 129044489) is (2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol.
What is the SMILES notation for (2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol?
The canonical SMILES for (2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol is COC1C(O)[C@@H](OC)C(C)O[C@H]1C.
What is the InChIKey of (2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol?
The InChIKey is HQYAZMDAHYMAPA-SCWZNRCBSA-N. The full InChI is InChI=1S/C9H18O4/c1-5-8(11-3)7(10)9(12-4)6(2)13-5/h5-10H,1-4H3/t5-,6?,7?,8?,9-/m0/s1.
What are the key properties of (2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol?
(2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol has a molecular weight of 190.24 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol is sourced from PubChem (CID 129044489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).