2-[2-(2-methoxyethoxy)propyl]oxirane

C8H16O3 — CID 23468419

IUPAC2-[2-(2-methoxyethoxy)propyl]oxirane
SMILESCOCCOC(C)CC1CO1
InChIInChI=1S/C8H16O3/c1-7(5-8-6-11-8)10-4-3-9-2/h7-8H,3-6H2,1-2H3
InChIKeyOWXMWGJFXCMHMQ-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.83
Rot. Bonds6

About 2-[2-(2-methoxyethoxy)propyl]oxirane

2-[2-(2-methoxyethoxy)propyl]oxirane (PubChem CID 23468419) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)propyl]oxirane.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)propyl]oxirane
PubChem CID23468419
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-[2-(2-methoxyethoxy)propyl]oxirane
SMILESCOCCOC(C)CC1CO1
InChIInChI=1S/C8H16O3/c1-7(5-8-6-11-8)10-4-3-9-2/h7-8H,3-6H2,1-2H3
InChIKeyOWXMWGJFXCMHMQ-UHFFFAOYSA-N
XLogP0.83
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)propyl]oxirane?
The IUPAC name of 2-[2-(2-methoxyethoxy)propyl]oxirane (CID 23468419) is 2-[2-(2-methoxyethoxy)propyl]oxirane.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)propyl]oxirane?
The canonical SMILES for 2-[2-(2-methoxyethoxy)propyl]oxirane is COCCOC(C)CC1CO1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)propyl]oxirane?
The InChIKey is OWXMWGJFXCMHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-7(5-8-6-11-8)10-4-3-9-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-[2-(2-methoxyethoxy)propyl]oxirane?
2-[2-(2-methoxyethoxy)propyl]oxirane has a molecular weight of 160.21 g/mol, XLogP of 0.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)propyl]oxirane is sourced from PubChem (CID 23468419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).