6-ethoxy-2,5-dimethyloxane-3,4-diol

C9H18O4 — CID 159419325

IUPAC6-ethoxy-2,5-dimethyloxane-3,4-diol
SMILESCCOC1OC(C)C(O)C(O)C1C
InChIInChI=1S/C9H18O4/c1-4-12-9-5(2)7(10)8(11)6(3)13-9/h5-11H,4H2,1-3H3
InChIKeyPQIGPVDYLPZYRY-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.13
Rot. Bonds2

About 6-ethoxy-2,5-dimethyloxane-3,4-diol

6-ethoxy-2,5-dimethyloxane-3,4-diol (PubChem CID 159419325) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 6-ethoxy-2,5-dimethyloxane-3,4-diol.

Molecular Properties

Compound Name6-ethoxy-2,5-dimethyloxane-3,4-diol
PubChem CID159419325
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name6-ethoxy-2,5-dimethyloxane-3,4-diol
SMILESCCOC1OC(C)C(O)C(O)C1C
InChIInChI=1S/C9H18O4/c1-4-12-9-5(2)7(10)8(11)6(3)13-9/h5-11H,4H2,1-3H3
InChIKeyPQIGPVDYLPZYRY-UHFFFAOYSA-N
XLogP0.13
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S,4S,5S,6R)-2,5-dimethyl-6-propoxyoxane-3,4-diol
CID 122522436
(2S,3S,4R,5R,6R)-6-ethoxy-3,4-dihydroxy-5-methyloxane-2-carboxylic acid
CID 159459088
(2S,3R,4R,5S,6S)-6-methoxy-2,5-dimethyloxane-3,4-diol
CID 130891159
(2S,3S,4R,6R)-4-(dimethylamino)-2-ethoxy-6-methyloxane-3,5-diol
CID 134847409
(3R,5S)-6-ethyl-2,5-dimethyloxane-3,4-diol
CID 142172464
(2S,4S,5R)-6-ethyl-2,5-dimethyloxane-3,4-diol
CID 59046301
butan-1-ol;6-ethoxy-2,5-dimethyloxane-3,4-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;5-ethoxy-4-methylpentane-1,4-diol;3-ethoxy-2-methylpropane-1,2-diol
CID 159419323
(2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol
CID 90276853
(2R)-3-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxane-2,4,5-triol
CID 171051882
(3S,4R,5S,6S)-2-dodecoxy-6-methyloxane-3,4,5-triol
CID 90849789
(2R,3R,4S,5R,6R)-2-heptoxy-6-methyloxane-3,4,5-triol
CID 102241828
(2R,4S,5S)-2-ethyl-5-methyloxolane-3,4-diol
CID 59996451

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2,5-dimethyloxane-3,4-diol?
The IUPAC name of 6-ethoxy-2,5-dimethyloxane-3,4-diol (CID 159419325) is 6-ethoxy-2,5-dimethyloxane-3,4-diol.
What is the SMILES notation for 6-ethoxy-2,5-dimethyloxane-3,4-diol?
The canonical SMILES for 6-ethoxy-2,5-dimethyloxane-3,4-diol is CCOC1OC(C)C(O)C(O)C1C.
What is the InChIKey of 6-ethoxy-2,5-dimethyloxane-3,4-diol?
The InChIKey is PQIGPVDYLPZYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-4-12-9-5(2)7(10)8(11)6(3)13-9/h5-11H,4H2,1-3H3.
What are the key properties of 6-ethoxy-2,5-dimethyloxane-3,4-diol?
6-ethoxy-2,5-dimethyloxane-3,4-diol has a molecular weight of 190.24 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2,5-dimethyloxane-3,4-diol is sourced from PubChem (CID 159419325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).