(2R,3S,6R)-4-ethyl-6-methyloxane-2,3-diol

C8H16O3 — CID 89075898

IUPAC(2R,3S,6R)-4-ethyl-6-methyloxane-2,3-diol
SMILESCCC1C[C@@H](C)O[C@@H](O)[C@H]1O
InChIInChI=1S/C8H16O3/c1-3-6-4-5(2)11-8(10)7(6)9/h5-10H,3-4H2,1-2H3/t5-,6?,7+,8-/m1/s1
InChIKeyKBKUTPUOJUHZNS-SNYGBICDSA-N
MW160.21 g/mol
LogP0.50
Rot. Bonds1

About (2R,3S,6R)-4-ethyl-6-methyloxane-2,3-diol

(2R,3S,6R)-4-ethyl-6-methyloxane-2,3-diol (PubChem CID 89075898) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (2R,3S,6R)-4-ethyl-6-methyloxane-2,3-diol.

Molecular Properties

Compound Name(2R,3S,6R)-4-ethyl-6-methyloxane-2,3-diol
PubChem CID89075898
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(2R,3S,6R)-4-ethyl-6-methyloxane-2,3-diol
SMILESCCC1C[C@@H](C)O[C@@H](O)[C@H]1O
InChIInChI=1S/C8H16O3/c1-3-6-4-5(2)11-8(10)7(6)9/h5-10H,3-4H2,1-2H3/t5-,6?,7+,8-/m1/s1
InChIKeyKBKUTPUOJUHZNS-SNYGBICDSA-N
XLogP0.50
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-methoxy-6-methyloxan-3-ol
CID 123374127
(2R,3R,4S,6S)-6-methyloxane-2,3,4-triol
CID 26966621
(2R,3R,4R,6R)-6-methyloxane-2,3,4-triol
CID 131039389
(2R,3S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol
CID 89217462
3-ethyl-5-methylcyclohexane-1,2-diol
CID 118343814
(2R,3S)-2-ethyl-5-methyloxolan-3-ol
CID 174181244
(2S,4S)-4-amino-6-methyl-2-tritiooxyoxan-3-ol
CID 91265952
(2S,5R)-2-ethyl-5-methyloxolan-3-ol;hydrate
CID 91272276
(2R)-2-ethylcyclopropan-1-ol
CID 173498082
(3S,4S)-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 89372248
[(2S,3S,5R)-2,5-dimethyloxolan-3-yl]methanol
CID 171816838
5-ethyl-4-methyloxolane-2,3-diol
CID 21338247

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6R)-4-ethyl-6-methyloxane-2,3-diol?
The IUPAC name of (2R,3S,6R)-4-ethyl-6-methyloxane-2,3-diol (CID 89075898) is (2R,3S,6R)-4-ethyl-6-methyloxane-2,3-diol.
What is the SMILES notation for (2R,3S,6R)-4-ethyl-6-methyloxane-2,3-diol?
The canonical SMILES for (2R,3S,6R)-4-ethyl-6-methyloxane-2,3-diol is CCC1C[C@@H](C)O[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,6R)-4-ethyl-6-methyloxane-2,3-diol?
The InChIKey is KBKUTPUOJUHZNS-SNYGBICDSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-6-4-5(2)11-8(10)7(6)9/h5-10H,3-4H2,1-2H3/t5-,6?,7+,8-/m1/s1.
What are the key properties of (2R,3S,6R)-4-ethyl-6-methyloxane-2,3-diol?
(2R,3S,6R)-4-ethyl-6-methyloxane-2,3-diol has a molecular weight of 160.21 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6R)-4-ethyl-6-methyloxane-2,3-diol is sourced from PubChem (CID 89075898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).