dodec-1-enyl propanoate

C15H28O2 — CID 54090188

IUPACdodec-1-enyl propanoate
SMILESCCCCCCCCCCC=COC(=O)CC
InChIInChI=1S/C15H28O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h13-14H,3-12H2,1-2H3
InChIKeyMTHNSONZKAQUEC-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.98
Rot. Bonds11

About dodec-1-enyl propanoate

dodec-1-enyl propanoate (PubChem CID 54090188) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is dodec-1-enyl propanoate.

Molecular Properties

Compound Namedodec-1-enyl propanoate
PubChem CID54090188
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Namedodec-1-enyl propanoate
SMILESCCCCCCCCCCC=COC(=O)CC
InChIInChI=1S/C15H28O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h13-14H,3-12H2,1-2H3
InChIKeyMTHNSONZKAQUEC-UHFFFAOYSA-N
XLogP4.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.98
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'}

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Frequently Asked Questions

What is the IUPAC name of dodec-1-enyl propanoate?
The IUPAC name of dodec-1-enyl propanoate (CID 54090188) is dodec-1-enyl propanoate.
What is the SMILES notation for dodec-1-enyl propanoate?
The canonical SMILES for dodec-1-enyl propanoate is CCCCCCCCCCC=COC(=O)CC.
What is the InChIKey of dodec-1-enyl propanoate?
The InChIKey is MTHNSONZKAQUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h13-14H,3-12H2,1-2H3.
What are the key properties of dodec-1-enyl propanoate?
dodec-1-enyl propanoate has a molecular weight of 240.39 g/mol, XLogP of 4.98, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-1-enyl propanoate is sourced from PubChem (CID 54090188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).