2-ethyl-3-methoxy-4,5,6-trimethyloxane

C11H22O2 — CID 20632118

IUPAC2-ethyl-3-methoxy-4,5,6-trimethyloxane
SMILESCCC1OC(C)C(C)C(C)C1OC
InChIInChI=1S/C11H22O2/c1-6-10-11(12-5)8(3)7(2)9(4)13-10/h7-11H,6H2,1-5H3
InChIKeyLWPRLFXIDFVCRE-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.47
Rot. Bonds2

About 2-ethyl-3-methoxy-4,5,6-trimethyloxane

2-ethyl-3-methoxy-4,5,6-trimethyloxane (PubChem CID 20632118) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-ethyl-3-methoxy-4,5,6-trimethyloxane.

Molecular Properties

Compound Name2-ethyl-3-methoxy-4,5,6-trimethyloxane
PubChem CID20632118
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-ethyl-3-methoxy-4,5,6-trimethyloxane
SMILESCCC1OC(C)C(C)C(C)C1OC
InChIInChI=1S/C11H22O2/c1-6-10-11(12-5)8(3)7(2)9(4)13-10/h7-11H,6H2,1-5H3
InChIKeyLWPRLFXIDFVCRE-UHFFFAOYSA-N
XLogP2.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-3-methoxy-4,5,6-trimethyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methoxy-4,5,6-trimethyloxane?
The IUPAC name of 2-ethyl-3-methoxy-4,5,6-trimethyloxane (CID 20632118) is 2-ethyl-3-methoxy-4,5,6-trimethyloxane.
What is the SMILES notation for 2-ethyl-3-methoxy-4,5,6-trimethyloxane?
The canonical SMILES for 2-ethyl-3-methoxy-4,5,6-trimethyloxane is CCC1OC(C)C(C)C(C)C1OC.
What is the InChIKey of 2-ethyl-3-methoxy-4,5,6-trimethyloxane?
The InChIKey is LWPRLFXIDFVCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-6-10-11(12-5)8(3)7(2)9(4)13-10/h7-11H,6H2,1-5H3.
What are the key properties of 2-ethyl-3-methoxy-4,5,6-trimethyloxane?
2-ethyl-3-methoxy-4,5,6-trimethyloxane has a molecular weight of 186.29 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methoxy-4,5,6-trimethyloxane is sourced from PubChem (CID 20632118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).