(Z)-dodec-8-enoic acid;(Z)-dodec-9-enoic acid;(Z)-dodec-10-enoic acid;dodec-11-enoic acid

C48H88O8 — CID 158275226

IUPAC(Z)-dodec-8-enoic acid;(Z)-dodec-9-enoic acid;(Z)-dodec-10-enoic acid;dodec-11-enoic acid
SMILESC/C=C\CCCCCCCCC(=O)O.C=CCCCCCCCCCC(=O)O.CC/C=C\CCCCCCCC(=O)O.CCC/C=C\CCCCCCC(=O)O
InChIInChI=1S/4C12H22O2/c4*1-2-3-4-5-6-7-8-9-10-11-12(13)14/h4-5H,2-3,6-11H2,1H3,(H,13,14);3-4H,2,5-11H2,1H3,(H,13,14);2-3H,4-11H2,1H3,(H,13,14);2H,1,3-11H2,(H,13,14)/b5-4-;4-3-;3-2-;
InChIKeyGJNJEJOQNNIBAS-CYLOAFANSA-N
MW793.22 g/mol
LogP15.07
Rot. Bonds37

About (Z)-dodec-8-enoic acid;(Z)-dodec-9-enoic acid;(Z)-dodec-10-enoic acid;dodec-11-enoic acid

(Z)-dodec-8-enoic acid;(Z)-dodec-9-enoic acid;(Z)-dodec-10-enoic acid;dodec-11-enoic acid (PubChem CID 158275226) has the molecular formula C48H88O8 and a molecular weight of 793.22 g/mol. Its IUPAC name is (Z)-dodec-8-enoic acid;(Z)-dodec-9-enoic acid;(Z)-dodec-10-enoic acid;dodec-11-enoic acid.

Molecular Properties

Compound Name(Z)-dodec-8-enoic acid;(Z)-dodec-9-enoic acid;(Z)-dodec-10-enoic acid;dodec-11-enoic acid
PubChem CID158275226
Molecular FormulaC48H88O8
Molecular Weight793.22 g/mol
Exact Mass792.65
IUPAC Name(Z)-dodec-8-enoic acid;(Z)-dodec-9-enoic acid;(Z)-dodec-10-enoic acid;dodec-11-enoic acid
SMILESC/C=C\CCCCCCCCC(=O)O.C=CCCCCCCCCCC(=O)O.CC/C=C\CCCCCCCC(=O)O.CCC/C=C\CCCCCCC(=O)O
InChIInChI=1S/4C12H22O2/c4*1-2-3-4-5-6-7-8-9-10-11-12(13)14/h4-5H,2-3,6-11H2,1H3,(H,13,14);3-4H,2,5-11H2,1H3,(H,13,14);2-3H,4-11H2,1H3,(H,13,14);2H,1,3-11H2,(H,13,14)/b5-4-;4-3-;3-2-;
InChIKeyGJNJEJOQNNIBAS-CYLOAFANSA-N
XLogP15.07
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds37
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.22
LogP ≤ 515.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-dodec-8-enoic acid;(Z)-dodec-9-enoic acid;(Z)-dodec-10-enoic acid;dodec-11-enoic acid with MolForge

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Launch Full Analysis

Related Compounds

(E)-undec-7-enoic acid
CID 5312729
(E)-tetracos-20-enoic acid
CID 171117693
dec-1-ene;dec-9-enoic acid
CID 87497067
(19Z,22Z,25Z,28Z,31Z)-tetratriaconta-19,22,25,28,31-pentaenoic acid
CID 14753668
(11Z,14Z)-octadeca-11,14-dienoic acid
CID 5312450
icosa-8,14,17-trienoic acid
CID 54189424
octacosa-10,13,16,19,22,25-hexaenoic acid
CID 75955160
henicosa-11,14,17-trienoic acid
CID 169277280
henicosa-15,18-dienoic acid
CID 169277369
(12Z,15Z)-octadeca-12,15-dienoic acid
CID 5312453
(10Z,13Z,16Z,19Z,22Z,25Z)-octacosa-10,13,16,19,22,25-hexaenoic acid
CID 52921814
(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18,21-pentaenoic acid
CID 87220855

Frequently Asked Questions

What is the IUPAC name of (Z)-dodec-8-enoic acid;(Z)-dodec-9-enoic acid;(Z)-dodec-10-enoic acid;dodec-11-enoic acid?
The IUPAC name of (Z)-dodec-8-enoic acid;(Z)-dodec-9-enoic acid;(Z)-dodec-10-enoic acid;dodec-11-enoic acid (CID 158275226) is (Z)-dodec-8-enoic acid;(Z)-dodec-9-enoic acid;(Z)-dodec-10-enoic acid;dodec-11-enoic acid.
What is the SMILES notation for (Z)-dodec-8-enoic acid;(Z)-dodec-9-enoic acid;(Z)-dodec-10-enoic acid;dodec-11-enoic acid?
The canonical SMILES for (Z)-dodec-8-enoic acid;(Z)-dodec-9-enoic acid;(Z)-dodec-10-enoic acid;dodec-11-enoic acid is C/C=C\CCCCCCCCC(=O)O.C=CCCCCCCCCCC(=O)O.CC/C=C\CCCCCCCC(=O)O.CCC/C=C\CCCCCCC(=O)O.
What is the InChIKey of (Z)-dodec-8-enoic acid;(Z)-dodec-9-enoic acid;(Z)-dodec-10-enoic acid;dodec-11-enoic acid?
The InChIKey is GJNJEJOQNNIBAS-CYLOAFANSA-N. The full InChI is InChI=1S/4C12H22O2/c4*1-2-3-4-5-6-7-8-9-10-11-12(13)14/h4-5H,2-3,6-11H2,1H3,(H,13,14);3-4H,2,5-11H2,1H3,(H,13,14);2-3H,4-11H2,1H3,(H,13,14);2H,1,3-11H2,(H,13,14)/b5-4-;4-3-;3-2-;.
What are the key properties of (Z)-dodec-8-enoic acid;(Z)-dodec-9-enoic acid;(Z)-dodec-10-enoic acid;dodec-11-enoic acid?
(Z)-dodec-8-enoic acid;(Z)-dodec-9-enoic acid;(Z)-dodec-10-enoic acid;dodec-11-enoic acid has a molecular weight of 793.22 g/mol, XLogP of 15.07, 37 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-dodec-8-enoic acid;(Z)-dodec-9-enoic acid;(Z)-dodec-10-enoic acid;dodec-11-enoic acid is sourced from PubChem (CID 158275226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).