2-(2-methoxyethoxy)-4-methyloxane

C9H18O3 — CID 21135487

IUPAC2-(2-methoxyethoxy)-4-methyloxane
SMILESCOCCOC1CC(C)CCO1
InChIInChI=1S/C9H18O3/c1-8-3-4-11-9(7-8)12-6-5-10-2/h8-9H,3-7H2,1-2H3
InChIKeyJDKLESWMYQLSJS-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.42
Rot. Bonds4

About 2-(2-methoxyethoxy)-4-methyloxane

2-(2-methoxyethoxy)-4-methyloxane (PubChem CID 21135487) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-4-methyloxane.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-4-methyloxane
PubChem CID21135487
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2-(2-methoxyethoxy)-4-methyloxane
SMILESCOCCOC1CC(C)CCO1
InChIInChI=1S/C9H18O3/c1-8-3-4-11-9(7-8)12-6-5-10-2/h8-9H,3-7H2,1-2H3
InChIKeyJDKLESWMYQLSJS-UHFFFAOYSA-N
XLogP1.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-4-methyloxane?
The IUPAC name of 2-(2-methoxyethoxy)-4-methyloxane (CID 21135487) is 2-(2-methoxyethoxy)-4-methyloxane.
What is the SMILES notation for 2-(2-methoxyethoxy)-4-methyloxane?
The canonical SMILES for 2-(2-methoxyethoxy)-4-methyloxane is COCCOC1CC(C)CCO1.
What is the InChIKey of 2-(2-methoxyethoxy)-4-methyloxane?
The InChIKey is JDKLESWMYQLSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-8-3-4-11-9(7-8)12-6-5-10-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxy)-4-methyloxane?
2-(2-methoxyethoxy)-4-methyloxane has a molecular weight of 174.24 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-4-methyloxane is sourced from PubChem (CID 21135487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).