dodec-8-enyl acetate;(Z)-tetradec-10-enoic acid

C28H52O4 — CID 175742696

IUPACdodec-8-enyl acetate;(Z)-tetradec-10-enoic acid
SMILESCCC/C=C\CCCCCCCCC(=O)O.CCCC=CCCCCCCCOC(C)=O
InChIInChI=1S/2C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,3-4,7-13H2,1-2H3;4-5H,2-3,6-13H2,1H3,(H,15,16)/b;5-4-
InChIKeyGFNYQHQIJPABDU-GUHKXDMSSA-N
MW452.72 g/mol
LogP8.79
Rot. Bonds21

About dodec-8-enyl acetate;(Z)-tetradec-10-enoic acid

dodec-8-enyl acetate;(Z)-tetradec-10-enoic acid (PubChem CID 175742696) has the molecular formula C28H52O4 and a molecular weight of 452.72 g/mol. Its IUPAC name is dodec-8-enyl acetate;(Z)-tetradec-10-enoic acid.

Molecular Properties

Compound Namedodec-8-enyl acetate;(Z)-tetradec-10-enoic acid
PubChem CID175742696
Molecular FormulaC28H52O4
Molecular Weight452.72 g/mol
Exact Mass452.39
IUPAC Namedodec-8-enyl acetate;(Z)-tetradec-10-enoic acid
SMILESCCC/C=C\CCCCCCCCC(=O)O.CCCC=CCCCCCCCOC(C)=O
InChIInChI=1S/2C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,3-4,7-13H2,1-2H3;4-5H,2-3,6-13H2,1H3,(H,15,16)/b;5-4-
InChIKeyGFNYQHQIJPABDU-GUHKXDMSSA-N
XLogP8.79
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.72
LogP ≤ 58.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[(Z)-dodec-7-enyl] acetate;(Z)-tetradec-9-enoic acid
CID 157118571
pentadec-6-enoic acid;tridec-4-enyl acetate
CID 159316398
(E)-undec-7-enoic acid
CID 5312729
(E)-tetracos-20-enoic acid
CID 171117693
[(Z)-tridec-8-enyl] acetate
CID 10014538
hexadec-8-enyl acetate
CID 538136
[(3Z,14Z)-octadeca-3,14-dienyl] acetate
CID 5363264
[(Z)-octadec-13-enyl] acetate
CID 5363293
octadec-8-enyl acetate
CID 538134
[(Z)-icos-11-enyl] acetate
CID 11493805
[(Z)-pentadec-7-enyl] acetate
CID 102286743
icosanoic acid;octadecyl acetate
CID 160822972

Frequently Asked Questions

What is the IUPAC name of dodec-8-enyl acetate;(Z)-tetradec-10-enoic acid?
The IUPAC name of dodec-8-enyl acetate;(Z)-tetradec-10-enoic acid (CID 175742696) is dodec-8-enyl acetate;(Z)-tetradec-10-enoic acid.
What is the SMILES notation for dodec-8-enyl acetate;(Z)-tetradec-10-enoic acid?
The canonical SMILES for dodec-8-enyl acetate;(Z)-tetradec-10-enoic acid is CCC/C=C\CCCCCCCCC(=O)O.CCCC=CCCCCCCCOC(C)=O.
What is the InChIKey of dodec-8-enyl acetate;(Z)-tetradec-10-enoic acid?
The InChIKey is GFNYQHQIJPABDU-GUHKXDMSSA-N. The full InChI is InChI=1S/2C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,3-4,7-13H2,1-2H3;4-5H,2-3,6-13H2,1H3,(H,15,16)/b;5-4-.
What are the key properties of dodec-8-enyl acetate;(Z)-tetradec-10-enoic acid?
dodec-8-enyl acetate;(Z)-tetradec-10-enoic acid has a molecular weight of 452.72 g/mol, XLogP of 8.79, 21 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-8-enyl acetate;(Z)-tetradec-10-enoic acid is sourced from PubChem (CID 175742696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).