2-(8-hydroxydecyl)pent-2-enedioic acid

C15H26O5 — CID 163084839

IUPAC2-(8-hydroxydecyl)pent-2-enedioic acid
SMILESCCC(O)CCCCCCCC(=CCC(=O)O)C(=O)O
InChIInChI=1S/C15H26O5/c1-2-13(16)9-7-5-3-4-6-8-12(15(19)20)10-11-14(17)18/h10,13,16H,2-9,11H2,1H3,(H,17,18)(H,19,20)
InChIKeyMESIJDRGJINUCT-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.97
Rot. Bonds12

About 2-(8-hydroxydecyl)pent-2-enedioic acid

2-(8-hydroxydecyl)pent-2-enedioic acid (PubChem CID 163084839) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-(8-hydroxydecyl)pent-2-enedioic acid.

Molecular Properties

Compound Name2-(8-hydroxydecyl)pent-2-enedioic acid
PubChem CID163084839
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name2-(8-hydroxydecyl)pent-2-enedioic acid
SMILESCCC(O)CCCCCCCC(=CCC(=O)O)C(=O)O
InChIInChI=1S/C15H26O5/c1-2-13(16)9-7-5-3-4-6-8-12(15(19)20)10-11-14(17)18/h10,13,16H,2-9,11H2,1H3,(H,17,18)(H,19,20)
InChIKeyMESIJDRGJINUCT-UHFFFAOYSA-N
XLogP2.97
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(8-hydroxydecyl)pent-2-enedioic acid?
The IUPAC name of 2-(8-hydroxydecyl)pent-2-enedioic acid (CID 163084839) is 2-(8-hydroxydecyl)pent-2-enedioic acid.
What is the SMILES notation for 2-(8-hydroxydecyl)pent-2-enedioic acid?
The canonical SMILES for 2-(8-hydroxydecyl)pent-2-enedioic acid is CCC(O)CCCCCCCC(=CCC(=O)O)C(=O)O.
What is the InChIKey of 2-(8-hydroxydecyl)pent-2-enedioic acid?
The InChIKey is MESIJDRGJINUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5/c1-2-13(16)9-7-5-3-4-6-8-12(15(19)20)10-11-14(17)18/h10,13,16H,2-9,11H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(8-hydroxydecyl)pent-2-enedioic acid?
2-(8-hydroxydecyl)pent-2-enedioic acid has a molecular weight of 286.37 g/mol, XLogP of 2.97, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-hydroxydecyl)pent-2-enedioic acid is sourced from PubChem (CID 163084839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).