2-(4-methylundeca-2,4-dien-2-yl)propanedioic acid

C15H24O4 — CID 141422618

IUPAC2-(4-methylundeca-2,4-dien-2-yl)propanedioic acid
SMILESCCCCCCC=C(C)C=C(C)C(C(=O)O)C(=O)O
InChIInChI=1S/C15H24O4/c1-4-5-6-7-8-9-11(2)10-12(3)13(14(16)17)15(18)19/h9-10,13H,4-8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyFDQPELGRJCDXCB-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.63
Rot. Bonds9

About 2-(4-methylundeca-2,4-dien-2-yl)propanedioic acid

2-(4-methylundeca-2,4-dien-2-yl)propanedioic acid (PubChem CID 141422618) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-(4-methylundeca-2,4-dien-2-yl)propanedioic acid.

Molecular Properties

Compound Name2-(4-methylundeca-2,4-dien-2-yl)propanedioic acid
PubChem CID141422618
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name2-(4-methylundeca-2,4-dien-2-yl)propanedioic acid
SMILESCCCCCCC=C(C)C=C(C)C(C(=O)O)C(=O)O
InChIInChI=1S/C15H24O4/c1-4-5-6-7-8-9-11(2)10-12(3)13(14(16)17)15(18)19/h9-10,13H,4-8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyFDQPELGRJCDXCB-UHFFFAOYSA-N
XLogP3.63
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
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': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(4E)-2,4-dimethylundeca-2,4-diene
CID 102247749
(Z)-2-methylnon-2-enoic acid
CID 19098031
(E)-2-methylnonacos-2-enoic acid
CID 87108662
2-methylhentriacont-2-enoic acid
CID 141160211
2-methylheptadec-2-enoic acid;hydrofluoride
CID 174883773
(3Z)-3-methyldodeca-1,3-diene
CID 13382661
2-nonadecylidenepropanedioic acid
CID 19832661
2-[(Z)-oct-1-enyl]propanedioic acid
CID 156873601
2-[(E)-non-1-enyl]propanedioic acid
CID 156873732
2-[(Z)-pentadec-1-enyl]propanedioic acid
CID 156873718
2-[(E)-dodec-1-enyl]propanedioic acid
CID 22107420
4-heptylidene-2-methylpent-2-enedioic acid
CID 88683247

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylundeca-2,4-dien-2-yl)propanedioic acid?
The IUPAC name of 2-(4-methylundeca-2,4-dien-2-yl)propanedioic acid (CID 141422618) is 2-(4-methylundeca-2,4-dien-2-yl)propanedioic acid.
What is the SMILES notation for 2-(4-methylundeca-2,4-dien-2-yl)propanedioic acid?
The canonical SMILES for 2-(4-methylundeca-2,4-dien-2-yl)propanedioic acid is CCCCCCC=C(C)C=C(C)C(C(=O)O)C(=O)O.
What is the InChIKey of 2-(4-methylundeca-2,4-dien-2-yl)propanedioic acid?
The InChIKey is FDQPELGRJCDXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-4-5-6-7-8-9-11(2)10-12(3)13(14(16)17)15(18)19/h9-10,13H,4-8H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-(4-methylundeca-2,4-dien-2-yl)propanedioic acid?
2-(4-methylundeca-2,4-dien-2-yl)propanedioic acid has a molecular weight of 268.35 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylundeca-2,4-dien-2-yl)propanedioic acid is sourced from PubChem (CID 141422618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).