4-(2-methoxyethoxy)-3,5,5-trimethyl-4H-1,2-oxazole

C9H17NO3 — CID 140934034

IUPAC4-(2-methoxyethoxy)-3,5,5-trimethyl-4H-1,2-oxazole
SMILESCOCCOC1C(C)=NOC1(C)C
InChIInChI=1S/C9H17NO3/c1-7-8(12-6-5-11-4)9(2,3)13-10-7/h8H,5-6H2,1-4H3
InChIKeyVUHNXEIARCXICG-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.20
Rot. Bonds4

About 4-(2-methoxyethoxy)-3,5,5-trimethyl-4H-1,2-oxazole

4-(2-methoxyethoxy)-3,5,5-trimethyl-4H-1,2-oxazole (PubChem CID 140934034) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-3,5,5-trimethyl-4H-1,2-oxazole.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-3,5,5-trimethyl-4H-1,2-oxazole
PubChem CID140934034
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name4-(2-methoxyethoxy)-3,5,5-trimethyl-4H-1,2-oxazole
SMILESCOCCOC1C(C)=NOC1(C)C
InChIInChI=1S/C9H17NO3/c1-7-8(12-6-5-11-4)9(2,3)13-10-7/h8H,5-6H2,1-4H3
InChIKeyVUHNXEIARCXICG-UHFFFAOYSA-N
XLogP1.20
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-(2-methoxyethoxy)-3,5,5-trimethyl-4H-1,2-oxazole?
The IUPAC name of 4-(2-methoxyethoxy)-3,5,5-trimethyl-4H-1,2-oxazole (CID 140934034) is 4-(2-methoxyethoxy)-3,5,5-trimethyl-4H-1,2-oxazole.
What is the SMILES notation for 4-(2-methoxyethoxy)-3,5,5-trimethyl-4H-1,2-oxazole?
The canonical SMILES for 4-(2-methoxyethoxy)-3,5,5-trimethyl-4H-1,2-oxazole is COCCOC1C(C)=NOC1(C)C.
What is the InChIKey of 4-(2-methoxyethoxy)-3,5,5-trimethyl-4H-1,2-oxazole?
The InChIKey is VUHNXEIARCXICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7-8(12-6-5-11-4)9(2,3)13-10-7/h8H,5-6H2,1-4H3.
What are the key properties of 4-(2-methoxyethoxy)-3,5,5-trimethyl-4H-1,2-oxazole?
4-(2-methoxyethoxy)-3,5,5-trimethyl-4H-1,2-oxazole has a molecular weight of 187.24 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-3,5,5-trimethyl-4H-1,2-oxazole is sourced from PubChem (CID 140934034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).