ethyl dodec-2-enoate

C14H26O2 — CID 53401860

IUPACethyl dodec-2-enoate
SMILESCCCCCCCCCC=CC(=O)OCC
InChIInChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h12-13H,3-11H2,1-2H3
InChIKeyGZXNVYMVJSTRNI-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.25
Rot. Bonds10

About ethyl dodec-2-enoate

ethyl dodec-2-enoate (PubChem CID 53401860) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is ethyl dodec-2-enoate.

Molecular Properties

Compound Nameethyl dodec-2-enoate
PubChem CID53401860
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Nameethyl dodec-2-enoate
SMILESCCCCCCCCCC=CC(=O)OCC
InChIInChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h12-13H,3-11H2,1-2H3
InChIKeyGZXNVYMVJSTRNI-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl dodec-2-enoate?
The IUPAC name of ethyl dodec-2-enoate (CID 53401860) is ethyl dodec-2-enoate.
What is the SMILES notation for ethyl dodec-2-enoate?
The canonical SMILES for ethyl dodec-2-enoate is CCCCCCCCCC=CC(=O)OCC.
What is the InChIKey of ethyl dodec-2-enoate?
The InChIKey is GZXNVYMVJSTRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h12-13H,3-11H2,1-2H3.
What are the key properties of ethyl dodec-2-enoate?
ethyl dodec-2-enoate has a molecular weight of 226.36 g/mol, XLogP of 4.25, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl dodec-2-enoate is sourced from PubChem (CID 53401860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).