2-[[(E)-non-1-enoxy]methyl]oxirane

C12H22O2 — CID 21225230

IUPAC2-[[(E)-non-1-enoxy]methyl]oxirane
SMILESCCCCCCC/C=C/OCC1CO1
InChIInChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-13-10-12-11-14-12/h8-9,12H,2-7,10-11H2,1H3/b9-8+
InChIKeyQLEXPPJUBKASJJ-CMDGGOBGSA-N
MW198.31 g/mol
LogP3.28
Rot. Bonds9

About 2-[[(E)-non-1-enoxy]methyl]oxirane

2-[[(E)-non-1-enoxy]methyl]oxirane (PubChem CID 21225230) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[[(E)-non-1-enoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[(E)-non-1-enoxy]methyl]oxirane
PubChem CID21225230
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-[[(E)-non-1-enoxy]methyl]oxirane
SMILESCCCCCCC/C=C/OCC1CO1
InChIInChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-13-10-12-11-14-12/h8-9,12H,2-7,10-11H2,1H3/b9-8+
InChIKeyQLEXPPJUBKASJJ-CMDGGOBGSA-N
XLogP3.28
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[(E)-non-1-enoxy]methyl]oxirane 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-[[(E)-non-1-enoxy]methyl]oxirane?
The IUPAC name of 2-[[(E)-non-1-enoxy]methyl]oxirane (CID 21225230) is 2-[[(E)-non-1-enoxy]methyl]oxirane.
What is the SMILES notation for 2-[[(E)-non-1-enoxy]methyl]oxirane?
The canonical SMILES for 2-[[(E)-non-1-enoxy]methyl]oxirane is CCCCCCC/C=C/OCC1CO1.
What is the InChIKey of 2-[[(E)-non-1-enoxy]methyl]oxirane?
The InChIKey is QLEXPPJUBKASJJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-13-10-12-11-14-12/h8-9,12H,2-7,10-11H2,1H3/b9-8+.
What are the key properties of 2-[[(E)-non-1-enoxy]methyl]oxirane?
2-[[(E)-non-1-enoxy]methyl]oxirane has a molecular weight of 198.31 g/mol, XLogP of 3.28, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-non-1-enoxy]methyl]oxirane is sourced from PubChem (CID 21225230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).