(Z)-dodec-5-enedioic acid

C12H20O4 — CID 86751837

IUPAC(Z)-dodec-5-enedioic acid
SMILESO=C(O)CCC/C=C\CCCCCC(=O)O
InChIInChI=1S/C12H20O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1,3H,2,4-10H2,(H,13,14)(H,15,16)/b3-1-
InChIKeyOHCMUMNQAHNIEP-IWQZZHSRSA-N
MW228.29 g/mol
LogP2.83
Rot. Bonds10

About (Z)-dodec-5-enedioic acid

(Z)-dodec-5-enedioic acid (PubChem CID 86751837) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is (Z)-dodec-5-enedioic acid.

Molecular Properties

Compound Name(Z)-dodec-5-enedioic acid
PubChem CID86751837
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name(Z)-dodec-5-enedioic acid
SMILESO=C(O)CCC/C=C\CCCCCC(=O)O
InChIInChI=1S/C12H20O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1,3H,2,4-10H2,(H,13,14)(H,15,16)/b3-1-
InChIKeyOHCMUMNQAHNIEP-IWQZZHSRSA-N
XLogP2.83
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.83
H-Bond Donors ≤ 52
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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Related Compounds

(9Z,30Z)-nonatriaconta-9,30-dienedioic acid
CID 151731001
(9Z,33Z)-dotetraconta-9,33-dienedioic acid
CID 87211353
nonatriaconta-9,30-dienedioic acid
CID 151730999
tetradec-6-enedioic acid
CID 151545129
(E)-octadec-4-enedioic acid
CID 166071490
(E)-pentadec-4-enedioic acid
CID 156873655
(9Z,12Z)-henicosa-9,12-dienedioic acid
CID 88967017
tetradeca-5,8-dienedioic acid
CID 54091580
15-hydroxypentadec-10-enoic acid
CID 165358734
14-hydroxytetradec-5-enoic acid
CID 78383968
20-hydroxyicosa-5,14-dienoic acid
CID 85146176
(Z)-32-hydroxydotriacont-23-enoic acid
CID 13377993

Frequently Asked Questions

What is the IUPAC name of (Z)-dodec-5-enedioic acid?
The IUPAC name of (Z)-dodec-5-enedioic acid (CID 86751837) is (Z)-dodec-5-enedioic acid.
What is the SMILES notation for (Z)-dodec-5-enedioic acid?
The canonical SMILES for (Z)-dodec-5-enedioic acid is O=C(O)CCC/C=C\CCCCCC(=O)O.
What is the InChIKey of (Z)-dodec-5-enedioic acid?
The InChIKey is OHCMUMNQAHNIEP-IWQZZHSRSA-N. The full InChI is InChI=1S/C12H20O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1,3H,2,4-10H2,(H,13,14)(H,15,16)/b3-1-.
What are the key properties of (Z)-dodec-5-enedioic acid?
(Z)-dodec-5-enedioic acid has a molecular weight of 228.29 g/mol, XLogP of 2.83, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-dodec-5-enedioic acid is sourced from PubChem (CID 86751837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).