2-ethyl-3,6-dimethoxy-4,5-dimethyloxane

C11H22O3 — CID 22974899

IUPAC2-ethyl-3,6-dimethoxy-4,5-dimethyloxane
SMILESCCC1OC(OC)C(C)C(C)C1OC
InChIInChI=1S/C11H22O3/c1-6-9-10(12-4)7(2)8(3)11(13-5)14-9/h7-11H,6H2,1-5H3
InChIKeyYYLQYLRPDPFBDD-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.05
Rot. Bonds3

About 2-ethyl-3,6-dimethoxy-4,5-dimethyloxane

2-ethyl-3,6-dimethoxy-4,5-dimethyloxane (PubChem CID 22974899) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-ethyl-3,6-dimethoxy-4,5-dimethyloxane.

Molecular Properties

Compound Name2-ethyl-3,6-dimethoxy-4,5-dimethyloxane
PubChem CID22974899
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-ethyl-3,6-dimethoxy-4,5-dimethyloxane
SMILESCCC1OC(OC)C(C)C(C)C1OC
InChIInChI=1S/C11H22O3/c1-6-9-10(12-4)7(2)8(3)11(13-5)14-9/h7-11H,6H2,1-5H3
InChIKeyYYLQYLRPDPFBDD-UHFFFAOYSA-N
XLogP2.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,6-dimethoxy-4,5-dimethyloxane?
The IUPAC name of 2-ethyl-3,6-dimethoxy-4,5-dimethyloxane (CID 22974899) is 2-ethyl-3,6-dimethoxy-4,5-dimethyloxane.
What is the SMILES notation for 2-ethyl-3,6-dimethoxy-4,5-dimethyloxane?
The canonical SMILES for 2-ethyl-3,6-dimethoxy-4,5-dimethyloxane is CCC1OC(OC)C(C)C(C)C1OC.
What is the InChIKey of 2-ethyl-3,6-dimethoxy-4,5-dimethyloxane?
The InChIKey is YYLQYLRPDPFBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-6-9-10(12-4)7(2)8(3)11(13-5)14-9/h7-11H,6H2,1-5H3.
What are the key properties of 2-ethyl-3,6-dimethoxy-4,5-dimethyloxane?
2-ethyl-3,6-dimethoxy-4,5-dimethyloxane has a molecular weight of 202.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,6-dimethoxy-4,5-dimethyloxane is sourced from PubChem (CID 22974899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).