2-dodec-1-en-3-ylpropanedioic acid

C15H26O4 — CID 59411846

IUPAC2-dodec-1-en-3-ylpropanedioic acid
SMILESC=CC(CCCCCCCCC)C(C(=O)O)C(=O)O
InChIInChI=1S/C15H26O4/c1-3-5-6-7-8-9-10-11-12(4-2)13(14(16)17)15(18)19/h4,12-13H,2-3,5-11H2,1H3,(H,16,17)(H,18,19)
InChIKeyWDGDYZQLYDZJCZ-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.71
Rot. Bonds12

About 2-dodec-1-en-3-ylpropanedioic acid

2-dodec-1-en-3-ylpropanedioic acid (PubChem CID 59411846) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-dodec-1-en-3-ylpropanedioic acid.

Molecular Properties

Compound Name2-dodec-1-en-3-ylpropanedioic acid
PubChem CID59411846
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name2-dodec-1-en-3-ylpropanedioic acid
SMILESC=CC(CCCCCCCCC)C(C(=O)O)C(=O)O
InChIInChI=1S/C15H26O4/c1-3-5-6-7-8-9-10-11-12(4-2)13(14(16)17)15(18)19/h4,12-13H,2-3,5-11H2,1H3,(H,16,17)(H,18,19)
InChIKeyWDGDYZQLYDZJCZ-UHFFFAOYSA-N
XLogP3.71
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-acetyl-3-ethenyloctanoate
CID 132536244
(2R,3S)-3-ethenyl-2-prop-1-en-2-ylhexanoic acid
CID 11041368
dimethyl 2-[(3R)-hept-1-en-3-yl]propanedioate
CID 14170343
2-nonadecan-2-ylpropanedioic acid
CID 22179077
2-octylpropanedioic acid
CID 12972
2-nonacosylpropanedioic acid
CID 19851286
2-icosylpropanedioic acid
CID 11582738
4-ethenyl-3-phenyldodecan-2-one
CID 102429181
2-ethenyldecane-1,1,1-tricarboxylic acid
CID 151254159
2-prop-2-enyloctadecanoic acid
CID 54468209
2-but-2-en-2-yloctanoic acid
CID 138521263
dodecane-1,1-diol;tris(prop-2-enoic acid)
CID 157166263

Frequently Asked Questions

What is the IUPAC name of 2-dodec-1-en-3-ylpropanedioic acid?
The IUPAC name of 2-dodec-1-en-3-ylpropanedioic acid (CID 59411846) is 2-dodec-1-en-3-ylpropanedioic acid.
What is the SMILES notation for 2-dodec-1-en-3-ylpropanedioic acid?
The canonical SMILES for 2-dodec-1-en-3-ylpropanedioic acid is C=CC(CCCCCCCCC)C(C(=O)O)C(=O)O.
What is the InChIKey of 2-dodec-1-en-3-ylpropanedioic acid?
The InChIKey is WDGDYZQLYDZJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-3-5-6-7-8-9-10-11-12(4-2)13(14(16)17)15(18)19/h4,12-13H,2-3,5-11H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-dodec-1-en-3-ylpropanedioic acid?
2-dodec-1-en-3-ylpropanedioic acid has a molecular weight of 270.37 g/mol, XLogP of 3.71, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodec-1-en-3-ylpropanedioic acid is sourced from PubChem (CID 59411846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).