2-ethyl-2-(hex-1-enoxymethyl)oxirane

C11H20O2 — CID 118977542

IUPAC2-ethyl-2-(hex-1-enoxymethyl)oxirane
SMILESCCCCC=COCC1(CC)CO1
InChIInChI=1S/C11H20O2/c1-3-5-6-7-8-12-9-11(4-2)10-13-11/h7-8H,3-6,9-10H2,1-2H3
InChIKeyIILYUSYPHITLRP-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.89
Rot. Bonds7

About 2-ethyl-2-(hex-1-enoxymethyl)oxirane

2-ethyl-2-(hex-1-enoxymethyl)oxirane (PubChem CID 118977542) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-ethyl-2-(hex-1-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-ethyl-2-(hex-1-enoxymethyl)oxirane
PubChem CID118977542
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-ethyl-2-(hex-1-enoxymethyl)oxirane
SMILESCCCCC=COCC1(CC)CO1
InChIInChI=1S/C11H20O2/c1-3-5-6-7-8-12-9-11(4-2)10-13-11/h7-8H,3-6,9-10H2,1-2H3
InChIKeyIILYUSYPHITLRP-UHFFFAOYSA-N
XLogP2.89
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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-ethyl-2-(hex-1-enoxymethyl)oxirane?
The IUPAC name of 2-ethyl-2-(hex-1-enoxymethyl)oxirane (CID 118977542) is 2-ethyl-2-(hex-1-enoxymethyl)oxirane.
What is the SMILES notation for 2-ethyl-2-(hex-1-enoxymethyl)oxirane?
The canonical SMILES for 2-ethyl-2-(hex-1-enoxymethyl)oxirane is CCCCC=COCC1(CC)CO1.
What is the InChIKey of 2-ethyl-2-(hex-1-enoxymethyl)oxirane?
The InChIKey is IILYUSYPHITLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-5-6-7-8-12-9-11(4-2)10-13-11/h7-8H,3-6,9-10H2,1-2H3.
What are the key properties of 2-ethyl-2-(hex-1-enoxymethyl)oxirane?
2-ethyl-2-(hex-1-enoxymethyl)oxirane has a molecular weight of 184.28 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(hex-1-enoxymethyl)oxirane is sourced from PubChem (CID 118977542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).