[(E)-dodec-7-en-5-ynyl] acetate

C14H22O2 — CID 24973765

IUPAC[(E)-dodec-7-en-5-ynyl] acetate
SMILESCCCC/C=C/C#CCCCCOC(C)=O
InChIInChI=1S/C14H22O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h6-7H,3-5,10-13H2,1-2H3/b7-6+
InChIKeyIKHNADSQVNTJQV-VOTSOKGWSA-N
MW222.33 g/mol
LogP3.47
Rot. Bonds7

About [(E)-dodec-7-en-5-ynyl] acetate

[(E)-dodec-7-en-5-ynyl] acetate (PubChem CID 24973765) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is [(E)-dodec-7-en-5-ynyl] acetate.

Molecular Properties

Compound Name[(E)-dodec-7-en-5-ynyl] acetate
PubChem CID24973765
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name[(E)-dodec-7-en-5-ynyl] acetate
SMILESCCCC/C=C/C#CCCCCOC(C)=O
InChIInChI=1S/C14H22O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h6-7H,3-5,10-13H2,1-2H3/b7-6+
InChIKeyIKHNADSQVNTJQV-VOTSOKGWSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-Octenyl acetate, (5Z)-
CID 5352838
5-Octenyl propionate, (5Z)-
CID 11041412
6-Nonenyl acetate, (6Z)-
CID 5363389
4-Decenyl acetate, (4Z)-
CID 5352830
(E)-5-Decenyl acetate
CID 5363095
13Z-Hexadecen-11-ynyl acetate
CID 13072122
1-Acetoxy-5-dodecene, (5E)-
CID 5363381
5-Dodecen-1-ol, 1-acetate, (5Z)-
CID 5363387
(Z)-5-Decenyl acetate
CID 5363513
(4Z)-4-Hexen-1-yl acetate
CID 5352834
4E,7Z-Tridecadienyl acetate
CID 6437421
cis-3-Hexenyl 2-octynoate
CID 5367687

Frequently Asked Questions

What is the IUPAC name of [(E)-dodec-7-en-5-ynyl] acetate?
The IUPAC name of [(E)-dodec-7-en-5-ynyl] acetate (CID 24973765) is [(E)-dodec-7-en-5-ynyl] acetate.
What is the SMILES notation for [(E)-dodec-7-en-5-ynyl] acetate?
The canonical SMILES for [(E)-dodec-7-en-5-ynyl] acetate is CCCC/C=C/C#CCCCCOC(C)=O.
What is the InChIKey of [(E)-dodec-7-en-5-ynyl] acetate?
The InChIKey is IKHNADSQVNTJQV-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h6-7H,3-5,10-13H2,1-2H3/b7-6+.
What are the key properties of [(E)-dodec-7-en-5-ynyl] acetate?
[(E)-dodec-7-en-5-ynyl] acetate has a molecular weight of 222.33 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-dodec-7-en-5-ynyl] acetate is sourced from PubChem (CID 24973765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).