2-[(Z)-oct-2-enyl]propanedioic acid

C11H18O4 — CID 156873558

IUPAC2-[(Z)-oct-2-enyl]propanedioic acid
SMILESCCCCC/C=C\CC(C(=O)O)C(=O)O
InChIInChI=1S/C11H18O4/c1-2-3-4-5-6-7-8-9(10(12)13)11(14)15/h6-7,9H,2-5,8H2,1H3,(H,12,13)(H,14,15)/b7-6-
InChIKeyORKGPXFIJGUULM-SREVYHEPSA-N
MW214.26 g/mol
LogP2.30
Rot. Bonds8

About 2-[(Z)-oct-2-enyl]propanedioic acid

2-[(Z)-oct-2-enyl]propanedioic acid (PubChem CID 156873558) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[(Z)-oct-2-enyl]propanedioic acid.

Molecular Properties

Compound Name2-[(Z)-oct-2-enyl]propanedioic acid
PubChem CID156873558
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name2-[(Z)-oct-2-enyl]propanedioic acid
SMILESCCCCC/C=C\CC(C(=O)O)C(=O)O
InChIInChI=1S/C11H18O4/c1-2-3-4-5-6-7-8-9(10(12)13)11(14)15/h6-7,9H,2-5,8H2,1H3,(H,12,13)(H,14,15)/b7-6-
InChIKeyORKGPXFIJGUULM-SREVYHEPSA-N
XLogP2.30
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.30
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

2-[(E)-nonadec-2-enyl]propanedioic acid
CID 156873698
2-[(E)-dec-2-enyl]propanedioic acid
CID 156873573
(Z)-2-hydroxydodec-4-enoic acid
CID 134931228
2-[(Z)-heptadec-10-enyl]propanedioic acid
CID 174772234
2-hexadec-7-enylpropanedioic acid
CID 173063889
2-[(Z)-hexadec-7-enyl]propanedioic acid
CID 87263289
carbonic acid;(Z)-octadec-9-ene
CID 87599003
(2R)-2-[(E)-hexadec-2-enyl]butanedioic acid
CID 98067241
2-[(2E,9E)-hexadeca-2,9-dienyl]butanedioic acid
CID 101278130
2-oct-2-enyldec-4-enedioic acid
CID 123647118
2-pentacos-2-enylbutanedioic acid
CID 139984745
2-pentadec-2-enylbutanedioic acid
CID 54072439

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-oct-2-enyl]propanedioic acid?
The IUPAC name of 2-[(Z)-oct-2-enyl]propanedioic acid (CID 156873558) is 2-[(Z)-oct-2-enyl]propanedioic acid.
What is the SMILES notation for 2-[(Z)-oct-2-enyl]propanedioic acid?
The canonical SMILES for 2-[(Z)-oct-2-enyl]propanedioic acid is CCCCC/C=C\CC(C(=O)O)C(=O)O.
What is the InChIKey of 2-[(Z)-oct-2-enyl]propanedioic acid?
The InChIKey is ORKGPXFIJGUULM-SREVYHEPSA-N. The full InChI is InChI=1S/C11H18O4/c1-2-3-4-5-6-7-8-9(10(12)13)11(14)15/h6-7,9H,2-5,8H2,1H3,(H,12,13)(H,14,15)/b7-6-.
What are the key properties of 2-[(Z)-oct-2-enyl]propanedioic acid?
2-[(Z)-oct-2-enyl]propanedioic acid has a molecular weight of 214.26 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-oct-2-enyl]propanedioic acid is sourced from PubChem (CID 156873558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).