4-ethoxy-2-ethyl-4-methyloxane

C10H20O2 — CID 22162646

IUPAC4-ethoxy-2-ethyl-4-methyloxane
SMILESCCOC1(C)CCOC(CC)C1
InChIInChI=1S/C10H20O2/c1-4-9-8-10(3,12-5-2)6-7-11-9/h9H,4-8H2,1-3H3
InChIKeyLFXCDQBEBPIKJK-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.37
Rot. Bonds3

About 4-ethoxy-2-ethyl-4-methyloxane

4-ethoxy-2-ethyl-4-methyloxane (PubChem CID 22162646) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-ethoxy-2-ethyl-4-methyloxane.

Molecular Properties

Compound Name4-ethoxy-2-ethyl-4-methyloxane
PubChem CID22162646
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name4-ethoxy-2-ethyl-4-methyloxane
SMILESCCOC1(C)CCOC(CC)C1
InChIInChI=1S/C10H20O2/c1-4-9-8-10(3,12-5-2)6-7-11-9/h9H,4-8H2,1-3H3
InChIKeyLFXCDQBEBPIKJK-UHFFFAOYSA-N
XLogP2.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-ethyl-4-methyloxane?
The IUPAC name of 4-ethoxy-2-ethyl-4-methyloxane (CID 22162646) is 4-ethoxy-2-ethyl-4-methyloxane.
What is the SMILES notation for 4-ethoxy-2-ethyl-4-methyloxane?
The canonical SMILES for 4-ethoxy-2-ethyl-4-methyloxane is CCOC1(C)CCOC(CC)C1.
What is the InChIKey of 4-ethoxy-2-ethyl-4-methyloxane?
The InChIKey is LFXCDQBEBPIKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-9-8-10(3,12-5-2)6-7-11-9/h9H,4-8H2,1-3H3.
What are the key properties of 4-ethoxy-2-ethyl-4-methyloxane?
4-ethoxy-2-ethyl-4-methyloxane has a molecular weight of 172.27 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-ethyl-4-methyloxane is sourced from PubChem (CID 22162646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).