4-ethyl-4,6-dimethyloxane-2,5-diol

C9H18O3 — CID 90762983

IUPAC4-ethyl-4,6-dimethyloxane-2,5-diol
SMILESCCC1(C)CC(O)OC(C)C1O
InChIInChI=1S/C9H18O3/c1-4-9(3)5-7(10)12-6(2)8(9)11/h6-8,10-11H,4-5H2,1-3H3
InChIKeyNMHRFMWFZXLGGG-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.89
Rot. Bonds1

About 4-ethyl-4,6-dimethyloxane-2,5-diol

4-ethyl-4,6-dimethyloxane-2,5-diol (PubChem CID 90762983) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 4-ethyl-4,6-dimethyloxane-2,5-diol.

Molecular Properties

Compound Name4-ethyl-4,6-dimethyloxane-2,5-diol
PubChem CID90762983
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name4-ethyl-4,6-dimethyloxane-2,5-diol
SMILESCCC1(C)CC(O)OC(C)C1O
InChIInChI=1S/C9H18O3/c1-4-9(3)5-7(10)12-6(2)8(9)11/h6-8,10-11H,4-5H2,1-3H3
InChIKeyNMHRFMWFZXLGGG-UHFFFAOYSA-N
XLogP0.89
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethyl-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-2,4-diol
CID 91098679
(2R,4R,6S)-5-ethyl-4-methoxy-4,6-dimethyloxan-2-ol
CID 70252903
(1R)-1-ethyl-1,2-dimethylcyclopropane
CID 177128711
1-ethyl-1,2-dimethylcyclopropane
CID 524629
(3aS,4S,7aS)-6-hydroxy-4,7a-dimethyl-3a,4,6,7-tetrahydro-1H-pyrano[4,3-d][1,3]oxazol-2-one
CID 130892046
(3S,6S)-4-amino-2,4,6-trimethyloxan-3-ol
CID 89339806
ethane;2,4,6-trimethyloxane-3,4-diol
CID 168899999
4-ethyl-2,2,3,4-tetramethylcyclohexan-1-ol
CID 123306354
(3R,5S)-3,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-4-ol
CID 163515521
2-ethyl-2-methylcyclopropan-1-amine
CID 62389905
(2R,3S,4S,6S)-4-amino-6-methoxy-2,4-dimethyloxan-3-ol
CID 23254147
(2R)-2-ethyl-2-methylcyclopropane-1-carboxylic acid
CID 134970541

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4,6-dimethyloxane-2,5-diol?
The IUPAC name of 4-ethyl-4,6-dimethyloxane-2,5-diol (CID 90762983) is 4-ethyl-4,6-dimethyloxane-2,5-diol.
What is the SMILES notation for 4-ethyl-4,6-dimethyloxane-2,5-diol?
The canonical SMILES for 4-ethyl-4,6-dimethyloxane-2,5-diol is CCC1(C)CC(O)OC(C)C1O.
What is the InChIKey of 4-ethyl-4,6-dimethyloxane-2,5-diol?
The InChIKey is NMHRFMWFZXLGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-4-9(3)5-7(10)12-6(2)8(9)11/h6-8,10-11H,4-5H2,1-3H3.
What are the key properties of 4-ethyl-4,6-dimethyloxane-2,5-diol?
4-ethyl-4,6-dimethyloxane-2,5-diol has a molecular weight of 174.24 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4,6-dimethyloxane-2,5-diol is sourced from PubChem (CID 90762983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).