dodec-2-enedioic acid

C12H20O4 — CID 22904

IUPACdodec-2-enedioic acid
SMILESO=C(O)C=CCCCCCCCCC(=O)O
InChIInChI=1S/C12H20O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h7,9H,1-6,8,10H2,(H,13,14)(H,15,16)
InChIKeyMAZWDMBCPDUFDJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.83
Rot. Bonds10

About dodec-2-enedioic acid

dodec-2-enedioic acid (PubChem CID 22904) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is dodec-2-enedioic acid.

Molecular Properties

Compound Namedodec-2-enedioic acid
PubChem CID22904
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Namedodec-2-enedioic acid
SMILESO=C(O)C=CCCCCCCCCC(=O)O
InChIInChI=1S/C12H20O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h7,9H,1-6,8,10H2,(H,13,14)(H,15,16)
InChIKeyMAZWDMBCPDUFDJ-UHFFFAOYSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Myristoleic Acid
CID 5281119
Traumatic Acid
CID 5283028
2-Octenedioic acid
CID 6079438
8-Decenoic acid, 10-hydroxy-, (E)-
CID 5312741
Myristelaidic acid
CID 5312402
cis-9-Octadecenedioic acid
CID 9543674
1-Cyclohexene-1-carboxylic acid
CID 69470
Traumatin
CID 5312889
(8E)-10-Oxo-8-decenoic acid
CID 12431569
Lauroleic Acid
CID 5312381
6,9-Octadecadienedioic acid, (6Z,9Z)-
CID 25156710
9-Pentadecenoic acid
CID 6365140

Frequently Asked Questions

What is the IUPAC name of dodec-2-enedioic acid?
The IUPAC name of dodec-2-enedioic acid (CID 22904) is dodec-2-enedioic acid.
What is the SMILES notation for dodec-2-enedioic acid?
The canonical SMILES for dodec-2-enedioic acid is O=C(O)C=CCCCCCCCCC(=O)O.
What is the InChIKey of dodec-2-enedioic acid?
The InChIKey is MAZWDMBCPDUFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h7,9H,1-6,8,10H2,(H,13,14)(H,15,16).
What are the key properties of dodec-2-enedioic acid?
dodec-2-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 dodec-2-enedioic acid is sourced from PubChem (CID 22904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).