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

C15H26O4 — CID 22912637

IUPAC2-[(E)-dec-1-enyl]pentanedioic acid
SMILESCCCCCCCC/C=C/C(CCC(=O)O)C(=O)O
InChIInChI=1S/C15H26O4/c1-2-3-4-5-6-7-8-9-10-13(15(18)19)11-12-14(16)17/h9-10,13H,2-8,11-12H2,1H3,(H,16,17)(H,18,19)/b10-9+
InChIKeyGCHWDGIIAFLZNA-MDZDMXLPSA-N
MW270.37 g/mol
LogP3.86
Rot. Bonds12

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

2-[(E)-dec-1-enyl]pentanedioic acid (PubChem CID 22912637) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[(E)-dec-1-enyl]pentanedioic acid.

Molecular Properties

Compound Name2-[(E)-dec-1-enyl]pentanedioic acid
PubChem CID22912637
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name2-[(E)-dec-1-enyl]pentanedioic acid
SMILESCCCCCCCC/C=C/C(CCC(=O)O)C(=O)O
InChIInChI=1S/C15H26O4/c1-2-3-4-5-6-7-8-9-10-13(15(18)19)11-12-14(16)17/h9-10,13H,2-8,11-12H2,1H3,(H,16,17)(H,18,19)/b10-9+
InChIKeyGCHWDGIIAFLZNA-MDZDMXLPSA-N
XLogP3.86
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 ≤ 53.86
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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-dec-1-enyl]pentanedioic acid?
The IUPAC name of 2-[(E)-dec-1-enyl]pentanedioic acid (CID 22912637) is 2-[(E)-dec-1-enyl]pentanedioic acid.
What is the SMILES notation for 2-[(E)-dec-1-enyl]pentanedioic acid?
The canonical SMILES for 2-[(E)-dec-1-enyl]pentanedioic acid is CCCCCCCC/C=C/C(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-[(E)-dec-1-enyl]pentanedioic acid?
The InChIKey is GCHWDGIIAFLZNA-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H26O4/c1-2-3-4-5-6-7-8-9-10-13(15(18)19)11-12-14(16)17/h9-10,13H,2-8,11-12H2,1H3,(H,16,17)(H,18,19)/b10-9+.
What are the key properties of 2-[(E)-dec-1-enyl]pentanedioic acid?
2-[(E)-dec-1-enyl]pentanedioic acid has a molecular weight of 270.37 g/mol, XLogP of 3.86, 12 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]pentanedioic acid is sourced from PubChem (CID 22912637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).