[(Z)-dodec-7-enyl] propanoate

C15H28O2 — CID 56935984

IUPAC[(Z)-dodec-7-enyl] propanoate
SMILESCCCC/C=C\CCCCCCOC(=O)CC
InChIInChI=1S/C15H28O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h7-8H,3-6,9-14H2,1-2H3/b8-7-
InChIKeyWQUKYJNIYAHZCX-FPLPWBNLSA-N
MW240.39 g/mol
LogP4.64
Rot. Bonds11

About [(Z)-dodec-7-enyl] propanoate

[(Z)-dodec-7-enyl] propanoate (PubChem CID 56935984) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is [(Z)-dodec-7-enyl] propanoate.

Molecular Properties

Compound Name[(Z)-dodec-7-enyl] propanoate
PubChem CID56935984
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name[(Z)-dodec-7-enyl] propanoate
SMILESCCCC/C=C\CCCCCCOC(=O)CC
InChIInChI=1S/C15H28O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h7-8H,3-6,9-14H2,1-2H3/b8-7-
InChIKeyWQUKYJNIYAHZCX-FPLPWBNLSA-N
XLogP4.64
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 ≤ 54.64
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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Related Compounds

[(E)-hexadec-5-enyl] propanoate
CID 23434883
[(Z)-octadec-9-enyl] propanoate;sulfuric acid
CID 159542544
bis[(E)-tetradec-9-enyl] butanedioate
CID 101280867
[(Z)-dec-3-enyl] propanoate
CID 129170896
[(E)-dec-3-enyl] propanoate
CID 45142124
bis[(E)-dodec-7-enyl] butanedioate
CID 101280844
[(Z)-oct-3-enyl] propanoate
CID 20836326
hentriacontyl (Z)-tetradec-9-enoate
CID 166098214
[(E)-octadec-9-enyl] (Z)-tetradec-9-enoate
CID 91750325
tritriacontyl (Z)-tetradec-9-enoate
CID 166098560
octadecyl (E)-hexadec-11-enoate
CID 42607326
bis[(E)-tridec-5-enyl] butanedioate
CID 101280853

Frequently Asked Questions

What is the IUPAC name of [(Z)-dodec-7-enyl] propanoate?
The IUPAC name of [(Z)-dodec-7-enyl] propanoate (CID 56935984) is [(Z)-dodec-7-enyl] propanoate.
What is the SMILES notation for [(Z)-dodec-7-enyl] propanoate?
The canonical SMILES for [(Z)-dodec-7-enyl] propanoate is CCCC/C=C\CCCCCCOC(=O)CC.
What is the InChIKey of [(Z)-dodec-7-enyl] propanoate?
The InChIKey is WQUKYJNIYAHZCX-FPLPWBNLSA-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/h7-8H,3-6,9-14H2,1-2H3/b8-7-.
What are the key properties of [(Z)-dodec-7-enyl] propanoate?
[(Z)-dodec-7-enyl] propanoate has a molecular weight of 240.39 g/mol, XLogP of 4.64, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-dodec-7-enyl] propanoate is sourced from PubChem (CID 56935984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).