tetradeca-5,8-dienedioic acid

C14H22O4 — CID 54091580

IUPACtetradeca-5,8-dienedioic acid
SMILESO=C(O)CCCC=CCC=CCCCCC(=O)O
InChIInChI=1S/C14H22O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1,3-4,6H,2,5,7-12H2,(H,15,16)(H,17,18)
InChIKeyMUFSRLVOUKHPIZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.39
Rot. Bonds11

About tetradeca-5,8-dienedioic acid

tetradeca-5,8-dienedioic acid (PubChem CID 54091580) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is tetradeca-5,8-dienedioic acid.

Molecular Properties

Compound Nametetradeca-5,8-dienedioic acid
PubChem CID54091580
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Nametetradeca-5,8-dienedioic acid
SMILESO=C(O)CCCC=CCC=CCCCCC(=O)O
InChIInChI=1S/C14H22O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1,3-4,6H,2,5,7-12H2,(H,15,16)(H,17,18)
InChIKeyMUFSRLVOUKHPIZ-UHFFFAOYSA-N
XLogP3.39
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.39
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,12Z)-henicosa-9,12-dienedioic acid
CID 88967017
(4Z)-hexadeca-4,7,10-trienedioic acid
CID 86752598
(Z)-dodec-5-enedioic acid
CID 86751837
(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;nonanedioic acid
CID 161210613
(Z)-docos-13-enoic acid;(5E,8E,11E)-icosa-5,8,11-trienoic acid
CID 87638416
(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
(6E,9E,12E,15E)-icosa-6,9,12,15-tetraenoic acid
CID 14746867
(14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid
CID 18981442
(6Z)-octadeca-6,9,12-trienoic acid
CID 87131642

Frequently Asked Questions

What is the IUPAC name of tetradeca-5,8-dienedioic acid?
The IUPAC name of tetradeca-5,8-dienedioic acid (CID 54091580) is tetradeca-5,8-dienedioic acid.
What is the SMILES notation for tetradeca-5,8-dienedioic acid?
The canonical SMILES for tetradeca-5,8-dienedioic acid is O=C(O)CCCC=CCC=CCCCCC(=O)O.
What is the InChIKey of tetradeca-5,8-dienedioic acid?
The InChIKey is MUFSRLVOUKHPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1,3-4,6H,2,5,7-12H2,(H,15,16)(H,17,18).
What are the key properties of tetradeca-5,8-dienedioic acid?
tetradeca-5,8-dienedioic acid has a molecular weight of 254.33 g/mol, XLogP of 3.39, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradeca-5,8-dienedioic acid is sourced from PubChem (CID 54091580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).