(Z)-dodec-3-ene-1,3,4-tricarboxylic acid

C15H24O6 — CID 121299760

IUPAC(Z)-dodec-3-ene-1,3,4-tricarboxylic acid
SMILESCCCCCCCC/C(C(=O)O)=C(\CCC(=O)O)C(=O)O
InChIInChI=1S/C15H24O6/c1-2-3-4-5-6-7-8-11(14(18)19)12(15(20)21)9-10-13(16)17/h2-10H2,1H3,(H,16,17)(H,18,19)(H,20,21)/b12-11-
InChIKeyFHXGIKVFARJXLP-QXMHVHEDSA-N
MW300.35 g/mol
LogP3.07
Rot. Bonds12

About (Z)-dodec-3-ene-1,3,4-tricarboxylic acid

(Z)-dodec-3-ene-1,3,4-tricarboxylic acid (PubChem CID 121299760) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is (Z)-dodec-3-ene-1,3,4-tricarboxylic acid.

Molecular Properties

Compound Name(Z)-dodec-3-ene-1,3,4-tricarboxylic acid
PubChem CID121299760
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name(Z)-dodec-3-ene-1,3,4-tricarboxylic acid
SMILESCCCCCCCC/C(C(=O)O)=C(\CCC(=O)O)C(=O)O
InChIInChI=1S/C15H24O6/c1-2-3-4-5-6-7-8-11(14(18)19)12(15(20)21)9-10-13(16)17/h2-10H2,1H3,(H,16,17)(H,18,19)(H,20,21)/b12-11-
InChIKeyFHXGIKVFARJXLP-QXMHVHEDSA-N
XLogP3.07
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

(E)-2,3-dioctadecylbut-2-enedioic acid
CID 87238050
2-butyl-3-octylbut-2-enedioic acid
CID 54144234
CID 87129001
CID 87129001
bis(butanedioic acid);decane
CID 159628544
(Z)-9,10-diacetyloctadec-9-enoic acid
CID 150473565
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
decanedioic acid;dodecane
CID 159822517
dodecanoic acid
CID 158803546
decanoic acid;pentadecanoic acid
CID 157343657
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075

Frequently Asked Questions

What is the IUPAC name of (Z)-dodec-3-ene-1,3,4-tricarboxylic acid?
The IUPAC name of (Z)-dodec-3-ene-1,3,4-tricarboxylic acid (CID 121299760) is (Z)-dodec-3-ene-1,3,4-tricarboxylic acid.
What is the SMILES notation for (Z)-dodec-3-ene-1,3,4-tricarboxylic acid?
The canonical SMILES for (Z)-dodec-3-ene-1,3,4-tricarboxylic acid is CCCCCCCC/C(C(=O)O)=C(\CCC(=O)O)C(=O)O.
What is the InChIKey of (Z)-dodec-3-ene-1,3,4-tricarboxylic acid?
The InChIKey is FHXGIKVFARJXLP-QXMHVHEDSA-N. The full InChI is InChI=1S/C15H24O6/c1-2-3-4-5-6-7-8-11(14(18)19)12(15(20)21)9-10-13(16)17/h2-10H2,1H3,(H,16,17)(H,18,19)(H,20,21)/b12-11-.
What are the key properties of (Z)-dodec-3-ene-1,3,4-tricarboxylic acid?
(Z)-dodec-3-ene-1,3,4-tricarboxylic acid has a molecular weight of 300.35 g/mol, XLogP of 3.07, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-dodec-3-ene-1,3,4-tricarboxylic acid is sourced from PubChem (CID 121299760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).