[(E)-dodec-3-enyl] acetate

C14H26O2 — CID 5352883

IUPAC[(E)-dodec-3-enyl] acetate
SMILESCCCCCCCC/C=C/CCOC(C)=O
InChIInChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h10-11H,3-9,12-13H2,1-2H3/b11-10+
InChIKeyNLVAHXQJCLXFGL-ZHACJKMWSA-N
MW226.36 g/mol
LogP4.25
Rot. Bonds10

About [(E)-dodec-3-enyl] acetate

[(E)-dodec-3-enyl] acetate (PubChem CID 5352883) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is [(E)-dodec-3-enyl] acetate.

Molecular Properties

Compound Name[(E)-dodec-3-enyl] acetate
PubChem CID5352883
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name[(E)-dodec-3-enyl] acetate
SMILESCCCCCCCC/C=C/CCOC(C)=O
InChIInChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h10-11H,3-9,12-13H2,1-2H3/b11-10+
InChIKeyNLVAHXQJCLXFGL-ZHACJKMWSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-dodec-3-enyl] acetate?
The IUPAC name of [(E)-dodec-3-enyl] acetate (CID 5352883) is [(E)-dodec-3-enyl] acetate.
What is the SMILES notation for [(E)-dodec-3-enyl] acetate?
The canonical SMILES for [(E)-dodec-3-enyl] acetate is CCCCCCCC/C=C/CCOC(C)=O.
What is the InChIKey of [(E)-dodec-3-enyl] acetate?
The InChIKey is NLVAHXQJCLXFGL-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h10-11H,3-9,12-13H2,1-2H3/b11-10+.
What are the key properties of [(E)-dodec-3-enyl] acetate?
[(E)-dodec-3-enyl] acetate 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 [(E)-dodec-3-enyl] acetate is sourced from PubChem (CID 5352883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).