2-[(E)-dec-1-enyl]butanedioic acid

C14H24O4 — CID 6365755

IUPAC2-[(E)-dec-1-enyl]butanedioic acid
SMILESCCCCCCCC/C=C/C(CC(=O)O)C(=O)O
InChIInChI=1S/C14H24O4/c1-2-3-4-5-6-7-8-9-10-12(14(17)18)11-13(15)16/h9-10,12H,2-8,11H2,1H3,(H,15,16)(H,17,18)/b10-9+
InChIKeyHLOQHECIPXZHSX-MDZDMXLPSA-N
MW256.34 g/mol
LogP3.47
Rot. Bonds11

About 2-[(E)-dec-1-enyl]butanedioic acid

2-[(E)-dec-1-enyl]butanedioic acid (PubChem CID 6365755) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-[(E)-dec-1-enyl]butanedioic acid.

Molecular Properties

Compound Name2-[(E)-dec-1-enyl]butanedioic acid
PubChem CID6365755
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name2-[(E)-dec-1-enyl]butanedioic acid
SMILESCCCCCCCC/C=C/C(CC(=O)O)C(=O)O
InChIInChI=1S/C14H24O4/c1-2-3-4-5-6-7-8-9-10-12(14(17)18)11-13(15)16/h9-10,12H,2-8,11H2,1H3,(H,15,16)(H,17,18)/b10-9+
InChIKeyHLOQHECIPXZHSX-MDZDMXLPSA-N
XLogP3.47
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.47
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

2-tetradec-1-enylbutanedioic acid
CID 3018655
2-tetracos-1-enylbutanedioic acid
CID 123737122
CID 162317914
CID 162317914
azane;2-[(E)-oct-1-enyl]butanedioic acid
CID 173422131
cerium;2-dodec-1-enylbutanedioic acid
CID 174928288
azane;2-[(E)-dodec-1-enyl]butanedioic acid
CID 173459339
sodium;2-[(E)-dodec-1-enyl]butanedioic acid;hydride
CID 173295475
ethanol;2-oct-1-enylbutanedioic acid
CID 175445551
butane-1,1-diol;2-dodec-1-enylbutanedioic acid
CID 174804232
bis(2-[bis(2-hydroxyethyl)amino]ethanol);2-[(E)-dodec-1-enyl]butanedioic acid
CID 6455059
(E)-2-(2-oxopropyl)tetradec-3-enoic acid
CID 134266543
3-sulfanylcarbonyltridec-4-enoic acid
CID 139797986

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-dec-1-enyl]butanedioic acid?
The IUPAC name of 2-[(E)-dec-1-enyl]butanedioic acid (CID 6365755) is 2-[(E)-dec-1-enyl]butanedioic acid.
What is the SMILES notation for 2-[(E)-dec-1-enyl]butanedioic acid?
The canonical SMILES for 2-[(E)-dec-1-enyl]butanedioic acid is CCCCCCCC/C=C/C(CC(=O)O)C(=O)O.
What is the InChIKey of 2-[(E)-dec-1-enyl]butanedioic acid?
The InChIKey is HLOQHECIPXZHSX-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H24O4/c1-2-3-4-5-6-7-8-9-10-12(14(17)18)11-13(15)16/h9-10,12H,2-8,11H2,1H3,(H,15,16)(H,17,18)/b10-9+.
What are the key properties of 2-[(E)-dec-1-enyl]butanedioic acid?
2-[(E)-dec-1-enyl]butanedioic acid has a molecular weight of 256.34 g/mol, XLogP of 3.47, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-dec-1-enyl]butanedioic acid is sourced from PubChem (CID 6365755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).