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

C13H24O2 — CID 56935983

IUPAC[(Z)-dodec-7-enyl] formate
SMILESCCCC/C=C\CCCCCCOC=O
InChIInChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14/h5-6,13H,2-4,7-12H2,1H3/b6-5-
InChIKeyYEVSIQILPVMRDT-WAYWQWQTSA-N
MW212.33 g/mol
LogP3.86
Rot. Bonds11

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

[(Z)-dodec-7-enyl] formate (PubChem CID 56935983) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is [(Z)-dodec-7-enyl] formate.

Molecular Properties

Compound Name[(Z)-dodec-7-enyl] formate
PubChem CID56935983
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name[(Z)-dodec-7-enyl] formate
SMILESCCCC/C=C\CCCCCCOC=O
InChIInChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14/h5-6,13H,2-4,7-12H2,1H3/b6-5-
InChIKeyYEVSIQILPVMRDT-WAYWQWQTSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
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': 'aldehyde', 'substructure': 'N/A'}, {'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 [(Z)-dodec-7-enyl] formate?
The IUPAC name of [(Z)-dodec-7-enyl] formate (CID 56935983) is [(Z)-dodec-7-enyl] formate.
What is the SMILES notation for [(Z)-dodec-7-enyl] formate?
The canonical SMILES for [(Z)-dodec-7-enyl] formate is CCCC/C=C\CCCCCCOC=O.
What is the InChIKey of [(Z)-dodec-7-enyl] formate?
The InChIKey is YEVSIQILPVMRDT-WAYWQWQTSA-N. The full InChI is InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14/h5-6,13H,2-4,7-12H2,1H3/b6-5-.
What are the key properties of [(Z)-dodec-7-enyl] formate?
[(Z)-dodec-7-enyl] formate has a molecular weight of 212.33 g/mol, XLogP of 3.86, 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] formate is sourced from PubChem (CID 56935983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).