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

C11H20O2 — CID 21188340

IUPAC2-[[(E)-oct-1-enoxy]methyl]oxirane
SMILESCCCCCC/C=C/OCC1CO1
InChIInChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-12-9-11-10-13-11/h7-8,11H,2-6,9-10H2,1H3/b8-7+
InChIKeyYCSGFUTXMJGUSL-BQYQJAHWSA-N
MW184.28 g/mol
LogP2.89
Rot. Bonds8

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

2-[[(E)-oct-1-enoxy]methyl]oxirane (PubChem CID 21188340) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[[(E)-oct-1-enoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[(E)-oct-1-enoxy]methyl]oxirane
PubChem CID21188340
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-[[(E)-oct-1-enoxy]methyl]oxirane
SMILESCCCCCC/C=C/OCC1CO1
InChIInChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-12-9-11-10-13-11/h7-8,11H,2-6,9-10H2,1H3/b8-7+
InChIKeyYCSGFUTXMJGUSL-BQYQJAHWSA-N
XLogP2.89
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.89
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-oct-1-enoxy]methyl]oxirane?
The IUPAC name of 2-[[(E)-oct-1-enoxy]methyl]oxirane (CID 21188340) is 2-[[(E)-oct-1-enoxy]methyl]oxirane.
What is the SMILES notation for 2-[[(E)-oct-1-enoxy]methyl]oxirane?
The canonical SMILES for 2-[[(E)-oct-1-enoxy]methyl]oxirane is CCCCCC/C=C/OCC1CO1.
What is the InChIKey of 2-[[(E)-oct-1-enoxy]methyl]oxirane?
The InChIKey is YCSGFUTXMJGUSL-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-12-9-11-10-13-11/h7-8,11H,2-6,9-10H2,1H3/b8-7+.
What are the key properties of 2-[[(E)-oct-1-enoxy]methyl]oxirane?
2-[[(E)-oct-1-enoxy]methyl]oxirane has a molecular weight of 184.28 g/mol, XLogP of 2.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-oct-1-enoxy]methyl]oxirane is sourced from PubChem (CID 21188340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).