4-methoxy-2,5-dimethyloxan-3-ol

C8H16O3 — CID 57076356

IUPAC4-methoxy-2,5-dimethyloxan-3-ol
SMILESCOC1C(C)COC(C)C1O
InChIInChI=1S/C8H16O3/c1-5-4-11-6(2)7(9)8(5)10-3/h5-9H,4H2,1-3H3
InChIKeyHGGKABGBGWFICU-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.42
Rot. Bonds1

About 4-methoxy-2,5-dimethyloxan-3-ol

4-methoxy-2,5-dimethyloxan-3-ol (PubChem CID 57076356) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 4-methoxy-2,5-dimethyloxan-3-ol.

Molecular Properties

Compound Name4-methoxy-2,5-dimethyloxan-3-ol
PubChem CID57076356
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name4-methoxy-2,5-dimethyloxan-3-ol
SMILESCOC1C(C)COC(C)C1O
InChIInChI=1S/C8H16O3/c1-5-4-11-6(2)7(9)8(5)10-3/h5-9H,4H2,1-3H3
InChIKeyHGGKABGBGWFICU-UHFFFAOYSA-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

(2R,3S,4R,5S)-4-methoxy-2-methyloxane-3,5-diol
CID 130831748
(3R,4R)-3-methoxy-2,5-dimethyloxan-4-ol
CID 59491822
(2R,3S,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol
CID 58017669
2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol
CID 19699685
(2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol
CID 157162950
(2S,3R,4R,5S)-4-methoxy-5-methyl-2-nonyloxan-3-ol
CID 57068245
(2S,3S)-2,3-dimethyloxetane
CID 76764483
(2S,3R,4R)-2-methyloxolane-3,4-diol
CID 101241466
(2R,4R,5S)-2-methyloxane-3,4,5-triol
CID 89321348
(2S,3S,4R,5S)-2-methyloxane-3,4,5-triol
CID 59378770
(2S,5R)-2-methyloxane-3,4,5-triol
CID 67963515
(3S,4R,5S,6S)-4,5-dimethoxy-2,6-dimethyloxan-3-ol
CID 129044484

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-dimethyloxan-3-ol?
The IUPAC name of 4-methoxy-2,5-dimethyloxan-3-ol (CID 57076356) is 4-methoxy-2,5-dimethyloxan-3-ol.
What is the SMILES notation for 4-methoxy-2,5-dimethyloxan-3-ol?
The canonical SMILES for 4-methoxy-2,5-dimethyloxan-3-ol is COC1C(C)COC(C)C1O.
What is the InChIKey of 4-methoxy-2,5-dimethyloxan-3-ol?
The InChIKey is HGGKABGBGWFICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-5-4-11-6(2)7(9)8(5)10-3/h5-9H,4H2,1-3H3.
What are the key properties of 4-methoxy-2,5-dimethyloxan-3-ol?
4-methoxy-2,5-dimethyloxan-3-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 4-methoxy-2,5-dimethyloxan-3-ol is sourced from PubChem (CID 57076356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).