dodec-11-enyl acetate

C14H26O2 — CID 520717

IUPACdodec-11-enyl acetate
SMILESC=CCCCCCCCCCCOC(C)=O
InChIInChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3H,1,4-13H2,2H3
InChIKeyANBOMSJGDBBKMR-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.25
Rot. Bonds11

About dodec-11-enyl acetate

dodec-11-enyl acetate (PubChem CID 520717) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is dodec-11-enyl acetate.

Molecular Properties

Compound Namedodec-11-enyl acetate
PubChem CID520717
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Namedodec-11-enyl acetate
SMILESC=CCCCCCCCCCCOC(C)=O
InChIInChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3H,1,4-13H2,2H3
InChIKeyANBOMSJGDBBKMR-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.25
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 dodec-11-enyl acetate?
The IUPAC name of dodec-11-enyl acetate (CID 520717) is dodec-11-enyl acetate.
What is the SMILES notation for dodec-11-enyl acetate?
The canonical SMILES for dodec-11-enyl acetate is C=CCCCCCCCCCCOC(C)=O.
What is the InChIKey of dodec-11-enyl acetate?
The InChIKey is ANBOMSJGDBBKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3H,1,4-13H2,2H3.
What are the key properties of dodec-11-enyl acetate?
dodec-11-enyl acetate has a molecular weight of 226.36 g/mol, XLogP of 4.25, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-11-enyl acetate is sourced from PubChem (CID 520717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).