2-[(2E,4E)-undeca-2,4-dienyl]butanedioic acid

C15H24O4 — CID 101278080

IUPAC2-[(2E,4E)-undeca-2,4-dienyl]butanedioic acid
SMILESCCCCCC/C=C/C=C/CC(CC(=O)O)C(=O)O
InChIInChI=1S/C15H24O4/c1-2-3-4-5-6-7-8-9-10-11-13(15(18)19)12-14(16)17/h7-10,13H,2-6,11-12H2,1H3,(H,16,17)(H,18,19)/b8-7+,10-9+
InChIKeyMUFXDQHVROTPGY-XBLVEGMJSA-N
MW268.35 g/mol
LogP3.63
Rot. Bonds11

About 2-[(2E,4E)-undeca-2,4-dienyl]butanedioic acid

2-[(2E,4E)-undeca-2,4-dienyl]butanedioic acid (PubChem CID 101278080) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-[(2E,4E)-undeca-2,4-dienyl]butanedioic acid.

Molecular Properties

Compound Name2-[(2E,4E)-undeca-2,4-dienyl]butanedioic acid
PubChem CID101278080
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name2-[(2E,4E)-undeca-2,4-dienyl]butanedioic acid
SMILESCCCCCC/C=C/C=C/CC(CC(=O)O)C(=O)O
InChIInChI=1S/C15H24O4/c1-2-3-4-5-6-7-8-9-10-11-13(15(18)19)12-14(16)17/h7-10,13H,2-6,11-12H2,1H3,(H,16,17)(H,18,19)/b8-7+,10-9+
InChIKeyMUFXDQHVROTPGY-XBLVEGMJSA-N
XLogP3.63
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(E)-hexadec-2-enyl]butanedioic acid
CID 98067241
2-[(2E,9E)-hexadeca-2,9-dienyl]butanedioic acid
CID 101278130
2-pentacos-2-enylbutanedioic acid
CID 139984745
2-pentadec-2-enylbutanedioic acid
CID 54072439
CID 170844575
CID 170844575
2-[(2E,12E)-hexadeca-2,12-dienyl]butanedioic acid
CID 101278133
2-[(E)-dodec-5-enyl]butanedioic acid
CID 101277904
2-dodec-6-enylbutanedioic acid
CID 174779156
pentadeca-3,5-dienoic acid
CID 91404982
octadeca-3,5-dienoic acid
CID 54573818
2-[(2E,12E)-tetradeca-2,12-dienyl]butanedioic acid
CID 101278112
2-propylhexacosa-6,8,10,12,18-pentaenoic acid
CID 123541136

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4E)-undeca-2,4-dienyl]butanedioic acid?
The IUPAC name of 2-[(2E,4E)-undeca-2,4-dienyl]butanedioic acid (CID 101278080) is 2-[(2E,4E)-undeca-2,4-dienyl]butanedioic acid.
What is the SMILES notation for 2-[(2E,4E)-undeca-2,4-dienyl]butanedioic acid?
The canonical SMILES for 2-[(2E,4E)-undeca-2,4-dienyl]butanedioic acid is CCCCCC/C=C/C=C/CC(CC(=O)O)C(=O)O.
What is the InChIKey of 2-[(2E,4E)-undeca-2,4-dienyl]butanedioic acid?
The InChIKey is MUFXDQHVROTPGY-XBLVEGMJSA-N. The full InChI is InChI=1S/C15H24O4/c1-2-3-4-5-6-7-8-9-10-11-13(15(18)19)12-14(16)17/h7-10,13H,2-6,11-12H2,1H3,(H,16,17)(H,18,19)/b8-7+,10-9+.
What are the key properties of 2-[(2E,4E)-undeca-2,4-dienyl]butanedioic acid?
2-[(2E,4E)-undeca-2,4-dienyl]butanedioic acid has a molecular weight of 268.35 g/mol, XLogP of 3.63, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4E)-undeca-2,4-dienyl]butanedioic acid is sourced from PubChem (CID 101278080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).