(2R,4R,5R)-5-ethyl-2-methoxy-4-methyloxolan-3-ol

C8H16O3 — CID 118680820

IUPAC(2R,4R,5R)-5-ethyl-2-methoxy-4-methyloxolan-3-ol
SMILESCC[C@H]1O[C@@H](OC)C(O)[C@H]1C
InChIInChI=1S/C8H16O3/c1-4-6-5(2)7(9)8(10-3)11-6/h5-9H,4H2,1-3H3/t5-,6+,7?,8+/m0/s1
InChIKeyQWDTWXPXWSUIIX-CZLDRYSHSA-N
MW160.21 g/mol
LogP0.76
Rot. Bonds2

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

(2R,4R,5R)-5-ethyl-2-methoxy-4-methyloxolan-3-ol (PubChem CID 118680820) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (2R,4R,5R)-5-ethyl-2-methoxy-4-methyloxolan-3-ol.

Molecular Properties

Compound Name(2R,4R,5R)-5-ethyl-2-methoxy-4-methyloxolan-3-ol
PubChem CID118680820
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(2R,4R,5R)-5-ethyl-2-methoxy-4-methyloxolan-3-ol
SMILESCC[C@H]1O[C@@H](OC)C(O)[C@H]1C
InChIInChI=1S/C8H16O3/c1-4-6-5(2)7(9)8(10-3)11-6/h5-9H,4H2,1-3H3/t5-,6+,7?,8+/m0/s1
InChIKeyQWDTWXPXWSUIIX-CZLDRYSHSA-N
XLogP0.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,6R)-5-amino-2-ethyl-6-methoxy-3-methyloxan-4-ol
CID 163469681
(3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol
CID 58503038
2-ethyl-6-methoxyoxane-3,4,5-triol
CID 21334747
(3S,4S,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol
CID 158893262
(2S,4R,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol
CID 122450252
(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol
CID 162222185
2-[6-[6-[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-ethyl-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-ethyl-5-methyloxane-3,4-diol;ethane
CID 158317864
(2R,4S,5S)-6-ethyl-2-[(3R,4S,6R)-2-ethyl-6-[(3R,4S,6R)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-2-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-yl]oxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-ol
CID 163470455
(2R,4S,5S)-6-ethyl-2-[(2R,4S,5S)-6-ethyl-2-[(2R,4S,5S)-6-ethyl-2-[(3R,4S,6R)-2-ethyl-6-[(3R,4S,6S)-2-ethyl-6-methoxy-3,5-dimethyloxan-4-yl]oxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol
CID 163909769
cyclohexane-1,2,3,4,5,6-hexol;bis((2R,4S,5R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol);(2R,4S,5R)-2-ethyl-6-methoxyoxane-3,4,5-triol
CID 158329736
5-ethyl-4-methyloxolane-2,3-diol
CID 21338247
(2R,4S,5S)-6-ethyl-2-[(2R,4S,5S)-6-ethyl-2-[(3R,4S,6R)-2-ethyl-6-methoxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(2R,4S,5S)-6-ethyl-2-[(3R,4S,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4S,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-2-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol;(3R,4S,6R)-2-ethyl-4-[(2R,4S,5S)-6-ethyl-3-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxy-6-methoxy-3,5-dimethyloxane
CID 163701937

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-5-ethyl-2-methoxy-4-methyloxolan-3-ol?
The IUPAC name of (2R,4R,5R)-5-ethyl-2-methoxy-4-methyloxolan-3-ol (CID 118680820) is (2R,4R,5R)-5-ethyl-2-methoxy-4-methyloxolan-3-ol.
What is the SMILES notation for (2R,4R,5R)-5-ethyl-2-methoxy-4-methyloxolan-3-ol?
The canonical SMILES for (2R,4R,5R)-5-ethyl-2-methoxy-4-methyloxolan-3-ol is CC[C@H]1O[C@@H](OC)C(O)[C@H]1C.
What is the InChIKey of (2R,4R,5R)-5-ethyl-2-methoxy-4-methyloxolan-3-ol?
The InChIKey is QWDTWXPXWSUIIX-CZLDRYSHSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-6-5(2)7(9)8(10-3)11-6/h5-9H,4H2,1-3H3/t5-,6+,7?,8+/m0/s1.
What are the key properties of (2R,4R,5R)-5-ethyl-2-methoxy-4-methyloxolan-3-ol?
(2R,4R,5R)-5-ethyl-2-methoxy-4-methyloxolan-3-ol has a molecular weight of 160.21 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-5-ethyl-2-methoxy-4-methyloxolan-3-ol is sourced from PubChem (CID 118680820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).