ethane;(2S,5S)-6-(hydroxymethyl)-4-methyloxane-2,5-diol

C9H20O4 — CID 156740552

IUPACethane;(2S,5S)-6-(hydroxymethyl)-4-methyloxane-2,5-diol
SMILESCC.CC1C[C@@H](O)OC(CO)[C@H]1O
InChIInChI=1S/C7H14O4.C2H6/c1-4-2-6(9)11-5(3-8)7(4)10;1-2/h4-10H,2-3H2,1H3;1-2H3/t4?,5?,6-,7-;/m0./s1
InChIKeyXEUXHYQWERMUON-CQLVACSGSA-N
MW192.25 g/mol
LogP0.11
Rot. Bonds1

About ethane;(2S,5S)-6-(hydroxymethyl)-4-methyloxane-2,5-diol

ethane;(2S,5S)-6-(hydroxymethyl)-4-methyloxane-2,5-diol (PubChem CID 156740552) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is ethane;(2S,5S)-6-(hydroxymethyl)-4-methyloxane-2,5-diol.

Molecular Properties

Compound Nameethane;(2S,5S)-6-(hydroxymethyl)-4-methyloxane-2,5-diol
PubChem CID156740552
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Nameethane;(2S,5S)-6-(hydroxymethyl)-4-methyloxane-2,5-diol
SMILESCC.CC1C[C@@H](O)OC(CO)[C@H]1O
InChIInChI=1S/C7H14O4.C2H6/c1-4-2-6(9)11-5(3-8)7(4)10;1-2/h4-10H,2-3H2,1H3;1-2H3/t4?,5?,6-,7-;/m0./s1
InChIKeyXEUXHYQWERMUON-CQLVACSGSA-N
XLogP0.11
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R,5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 7057906
(2R,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 148934060
(5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 70641511
(2R,3R,6R)-2-(hydroxymethyl)-6-methoxy-4-methyloxan-3-ol
CID 147159840
(4S,5S)-5-ethyl-4-methyloxolan-2-ol
CID 59992917
(2S,4S,5S)-5-(hydroxymethyl)oxolane-2,4-diol
CID 91205052
(3S,4S)-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 89372248
[6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol
CID 130148196
ethane;2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 144927729
(2R,3S,4R,5S,6R)-2-[[(2R,3S,4R,6S)-3,6-dihydroxy-2-(hydroxymethyl)oxan-4-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 132577321
(2R,4R,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 157377669
(3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 146299921

Frequently Asked Questions

What is the IUPAC name of ethane;(2S,5S)-6-(hydroxymethyl)-4-methyloxane-2,5-diol?
The IUPAC name of ethane;(2S,5S)-6-(hydroxymethyl)-4-methyloxane-2,5-diol (CID 156740552) is ethane;(2S,5S)-6-(hydroxymethyl)-4-methyloxane-2,5-diol.
What is the SMILES notation for ethane;(2S,5S)-6-(hydroxymethyl)-4-methyloxane-2,5-diol?
The canonical SMILES for ethane;(2S,5S)-6-(hydroxymethyl)-4-methyloxane-2,5-diol is CC.CC1C[C@@H](O)OC(CO)[C@H]1O.
What is the InChIKey of ethane;(2S,5S)-6-(hydroxymethyl)-4-methyloxane-2,5-diol?
The InChIKey is XEUXHYQWERMUON-CQLVACSGSA-N. The full InChI is InChI=1S/C7H14O4.C2H6/c1-4-2-6(9)11-5(3-8)7(4)10;1-2/h4-10H,2-3H2,1H3;1-2H3/t4?,5?,6-,7-;/m0./s1.
What are the key properties of ethane;(2S,5S)-6-(hydroxymethyl)-4-methyloxane-2,5-diol?
ethane;(2S,5S)-6-(hydroxymethyl)-4-methyloxane-2,5-diol has a molecular weight of 192.25 g/mol, XLogP of 0.11, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2S,5S)-6-(hydroxymethyl)-4-methyloxane-2,5-diol is sourced from PubChem (CID 156740552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).