4-ethenoxy-5-methoxy-2,3-dimethyloxane

C10H18O3 — CID 163571112

IUPAC4-ethenoxy-5-methoxy-2,3-dimethyloxane
SMILESC=COC1C(OC)COC(C)C1C
InChIInChI=1S/C10H18O3/c1-5-12-10-7(2)8(3)13-6-9(10)11-4/h5,7-10H,1,6H2,2-4H3
InChIKeyFZKKWFIAGSGNPX-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.58
Rot. Bonds3

About 4-ethenoxy-5-methoxy-2,3-dimethyloxane

4-ethenoxy-5-methoxy-2,3-dimethyloxane (PubChem CID 163571112) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-ethenoxy-5-methoxy-2,3-dimethyloxane.

Molecular Properties

Compound Name4-ethenoxy-5-methoxy-2,3-dimethyloxane
PubChem CID163571112
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name4-ethenoxy-5-methoxy-2,3-dimethyloxane
SMILESC=COC1C(OC)COC(C)C1C
InChIInChI=1S/C10H18O3/c1-5-12-10-7(2)8(3)13-6-9(10)11-4/h5,7-10H,1,6H2,2-4H3
InChIKeyFZKKWFIAGSGNPX-UHFFFAOYSA-N
XLogP1.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3,4-Dimethoxy-2,5,6-trimethyloxane
CID 20816379
3,5-Dimethoxy-2,4,6-trimethyloxane
CID 20816380
2-(2-Methylbutyl)-1,4-dioxane
CID 56991931
3-Butoxy-4-(2-methylpropyl)oxane
CID 57001488
(2S,3S,4R,5R,6R)-3,4-dimethoxy-2,5,6-trimethyloxane
CID 57696376
(3S,4R,5R)-4,5-dimethoxy-2,3-dimethyloxane
CID 58076547
(3S)-4,5-dimethoxy-2,3-dimethyloxane
CID 59932067
(2S,3R,5R,6S)-3,5-dimethoxy-2,4,6-trimethyloxane
CID 60018426
(2S,3S,4R,5S,6S)-3,4-dimethoxy-2,5,6-trimethyloxane
CID 60018453
(2S,3S,4S,5S,6S)-3,4-dimethoxy-2,5,6-trimethyloxane
CID 60018464
(2S,3S,5R,6S)-3,5-dimethoxy-2,4,6-trimethyloxane
CID 60130742
(2R,3S,5S)-5-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxane
CID 60138960

Frequently Asked Questions

What is the IUPAC name of 4-ethenoxy-5-methoxy-2,3-dimethyloxane?
The IUPAC name of 4-ethenoxy-5-methoxy-2,3-dimethyloxane (CID 163571112) is 4-ethenoxy-5-methoxy-2,3-dimethyloxane.
What is the SMILES notation for 4-ethenoxy-5-methoxy-2,3-dimethyloxane?
The canonical SMILES for 4-ethenoxy-5-methoxy-2,3-dimethyloxane is C=COC1C(OC)COC(C)C1C.
What is the InChIKey of 4-ethenoxy-5-methoxy-2,3-dimethyloxane?
The InChIKey is FZKKWFIAGSGNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-5-12-10-7(2)8(3)13-6-9(10)11-4/h5,7-10H,1,6H2,2-4H3.
What are the key properties of 4-ethenoxy-5-methoxy-2,3-dimethyloxane?
4-ethenoxy-5-methoxy-2,3-dimethyloxane has a molecular weight of 186.25 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxy-5-methoxy-2,3-dimethyloxane is sourced from PubChem (CID 163571112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).