2-(dodec-1-enoxymethyl)oxirane

C15H28O2 — CID 91466754

IUPAC2-(dodec-1-enoxymethyl)oxirane
SMILESCCCCCCCCCCC=COCC1CO1
InChIInChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-15-14-17-15/h11-12,15H,2-10,13-14H2,1H3
InChIKeyUKKBFXGGZAYCKW-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.45
Rot. Bonds12

About 2-(dodec-1-enoxymethyl)oxirane

2-(dodec-1-enoxymethyl)oxirane (PubChem CID 91466754) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(dodec-1-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-(dodec-1-enoxymethyl)oxirane
PubChem CID91466754
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-(dodec-1-enoxymethyl)oxirane
SMILESCCCCCCCCCCC=COCC1CO1
InChIInChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-15-14-17-15/h11-12,15H,2-10,13-14H2,1H3
InChIKeyUKKBFXGGZAYCKW-UHFFFAOYSA-N
XLogP4.45
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.45
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-(dodec-1-enoxymethyl)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-(dodec-1-enoxymethyl)oxirane?
The IUPAC name of 2-(dodec-1-enoxymethyl)oxirane (CID 91466754) is 2-(dodec-1-enoxymethyl)oxirane.
What is the SMILES notation for 2-(dodec-1-enoxymethyl)oxirane?
The canonical SMILES for 2-(dodec-1-enoxymethyl)oxirane is CCCCCCCCCCC=COCC1CO1.
What is the InChIKey of 2-(dodec-1-enoxymethyl)oxirane?
The InChIKey is UKKBFXGGZAYCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-15-14-17-15/h11-12,15H,2-10,13-14H2,1H3.
What are the key properties of 2-(dodec-1-enoxymethyl)oxirane?
2-(dodec-1-enoxymethyl)oxirane has a molecular weight of 240.39 g/mol, XLogP of 4.45, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dodec-1-enoxymethyl)oxirane is sourced from PubChem (CID 91466754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).