(3R,4R)-3-methoxy-2,5-dimethyloxan-4-ol

C8H16O3 — CID 59491822

IUPAC(3R,4R)-3-methoxy-2,5-dimethyloxan-4-ol
SMILESCO[C@H]1C(C)OCC(C)[C@H]1O
InChIInChI=1S/C8H16O3/c1-5-4-11-6(2)8(10-3)7(5)9/h5-9H,4H2,1-3H3/t5?,6?,7-,8+/m1/s1
InChIKeyAWBZENCQAHASDC-CRYROECRSA-N
MW160.21 g/mol
LogP0.42
Rot. Bonds1

About (3R,4R)-3-methoxy-2,5-dimethyloxan-4-ol

(3R,4R)-3-methoxy-2,5-dimethyloxan-4-ol (PubChem CID 59491822) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (3R,4R)-3-methoxy-2,5-dimethyloxan-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-methoxy-2,5-dimethyloxan-4-ol
PubChem CID59491822
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(3R,4R)-3-methoxy-2,5-dimethyloxan-4-ol
SMILESCO[C@H]1C(C)OCC(C)[C@H]1O
InChIInChI=1S/C8H16O3/c1-5-4-11-6(2)8(10-3)7(5)9/h5-9H,4H2,1-3H3/t5?,6?,7-,8+/m1/s1
InChIKeyAWBZENCQAHASDC-CRYROECRSA-N
XLogP0.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2,5-dimethyloxan-3-ol
CID 57076356
(2R,3S,4R,5S)-4-methoxy-2-methyloxane-3,5-diol
CID 130831748
ethane;(2S,3R,4S,5S)-2,3,5-trimethyloxan-4-ol
CID 144983019
(2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol
CID 129044489
2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol
CID 19699685
(2R,3S,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol
CID 58017669
(2S,3S)-2,3-dimethyloxetane
CID 76764483
(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,4R,5R,6R)-6-methyl-5-propan-2-yloxyoxane-3,4-diol
CID 100998822
(2S,3S,4R,5S)-2,3,4,5-tetramethyloxane
CID 25166630
2,3,4,5-tetramethyloxane
CID 18714557

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methoxy-2,5-dimethyloxan-4-ol?
The IUPAC name of (3R,4R)-3-methoxy-2,5-dimethyloxan-4-ol (CID 59491822) is (3R,4R)-3-methoxy-2,5-dimethyloxan-4-ol.
What is the SMILES notation for (3R,4R)-3-methoxy-2,5-dimethyloxan-4-ol?
The canonical SMILES for (3R,4R)-3-methoxy-2,5-dimethyloxan-4-ol is CO[C@H]1C(C)OCC(C)[C@H]1O.
What is the InChIKey of (3R,4R)-3-methoxy-2,5-dimethyloxan-4-ol?
The InChIKey is AWBZENCQAHASDC-CRYROECRSA-N. The full InChI is InChI=1S/C8H16O3/c1-5-4-11-6(2)8(10-3)7(5)9/h5-9H,4H2,1-3H3/t5?,6?,7-,8+/m1/s1.
What are the key properties of (3R,4R)-3-methoxy-2,5-dimethyloxan-4-ol?
(3R,4R)-3-methoxy-2,5-dimethyloxan-4-ol has a molecular weight of 160.21 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methoxy-2,5-dimethyloxan-4-ol is sourced from PubChem (CID 59491822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).