2-dodec-11-enyl-3-undecoxyoxirene

C25H46O2 — CID 140533261

IUPAC2-dodec-11-enyl-3-undecoxyoxirene
SMILESC=CCCCCCCCCCCC1=C(OCCCCCCCCCCC)O1
InChIInChI=1S/C25H46O2/c1-3-5-7-9-11-13-14-16-18-20-22-24-25(27-24)26-23-21-19-17-15-12-10-8-6-4-2/h3H,1,4-23H2,2H3
InChIKeyTWWRGMLGOJSJMK-UHFFFAOYSA-N
MW378.64 g/mol
LogP8.82
Rot. Bonds22

About 2-dodec-11-enyl-3-undecoxyoxirene

2-dodec-11-enyl-3-undecoxyoxirene (PubChem CID 140533261) has the molecular formula C25H46O2 and a molecular weight of 378.64 g/mol. Its IUPAC name is 2-dodec-11-enyl-3-undecoxyoxirene.

Molecular Properties

Compound Name2-dodec-11-enyl-3-undecoxyoxirene
PubChem CID140533261
Molecular FormulaC25H46O2
Molecular Weight378.64 g/mol
Exact Mass378.35
IUPAC Name2-dodec-11-enyl-3-undecoxyoxirene
SMILESC=CCCCCCCCCCCC1=C(OCCCCCCCCCCC)O1
InChIInChI=1S/C25H46O2/c1-3-5-7-9-11-13-14-16-18-20-22-24-25(27-24)26-23-21-19-17-15-12-10-8-6-4-2/h3H,1,4-23H2,2H3
InChIKeyTWWRGMLGOJSJMK-UHFFFAOYSA-N
XLogP8.82
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.64
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-dodec-11-enyl-3-undecoxyoxirene?
The IUPAC name of 2-dodec-11-enyl-3-undecoxyoxirene (CID 140533261) is 2-dodec-11-enyl-3-undecoxyoxirene.
What is the SMILES notation for 2-dodec-11-enyl-3-undecoxyoxirene?
The canonical SMILES for 2-dodec-11-enyl-3-undecoxyoxirene is C=CCCCCCCCCCCC1=C(OCCCCCCCCCCC)O1.
What is the InChIKey of 2-dodec-11-enyl-3-undecoxyoxirene?
The InChIKey is TWWRGMLGOJSJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46O2/c1-3-5-7-9-11-13-14-16-18-20-22-24-25(27-24)26-23-21-19-17-15-12-10-8-6-4-2/h3H,1,4-23H2,2H3.
What are the key properties of 2-dodec-11-enyl-3-undecoxyoxirene?
2-dodec-11-enyl-3-undecoxyoxirene has a molecular weight of 378.64 g/mol, XLogP of 8.82, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodec-11-enyl-3-undecoxyoxirene is sourced from PubChem (CID 140533261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).