methyl dodec-11-enoate

C13H24O2 — CID 543920

IUPACmethyl dodec-11-enoate
SMILESC=CCCCCCCCCCC(=O)OC
InChIInChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3H,1,4-12H2,2H3
InChIKeyZIPHBQHTAWKZCG-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.86
Rot. Bonds10

About methyl dodec-11-enoate

methyl dodec-11-enoate (PubChem CID 543920) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is methyl dodec-11-enoate.

Molecular Properties

Compound Namemethyl dodec-11-enoate
PubChem CID543920
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Namemethyl dodec-11-enoate
SMILESC=CCCCCCCCCCC(=O)OC
InChIInChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3H,1,4-12H2,2H3
InChIKeyZIPHBQHTAWKZCG-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.86
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 methyl dodec-11-enoate?
The IUPAC name of methyl dodec-11-enoate (CID 543920) is methyl dodec-11-enoate.
What is the SMILES notation for methyl dodec-11-enoate?
The canonical SMILES for methyl dodec-11-enoate is C=CCCCCCCCCCC(=O)OC.
What is the InChIKey of methyl dodec-11-enoate?
The InChIKey is ZIPHBQHTAWKZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3H,1,4-12H2,2H3.
What are the key properties of methyl dodec-11-enoate?
methyl dodec-11-enoate has a molecular weight of 212.33 g/mol, XLogP of 3.86, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl dodec-11-enoate is sourced from PubChem (CID 543920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).