2-[(E)-non-2-enoxy]butanoic acid

C13H24O3 — CID 175496576

IUPAC2-[(E)-non-2-enoxy]butanoic acid
SMILESCCCCCC/C=C/COC(CC)C(=O)O
InChIInChI=1S/C13H24O3/c1-3-5-6-7-8-9-10-11-16-12(4-2)13(14)15/h9-10,12H,3-8,11H2,1-2H3,(H,14,15)/b10-9+
InChIKeySIZDZUCFDJEFFB-MDZDMXLPSA-N
MW228.33 g/mol
LogP3.39
Rot. Bonds10

About 2-[(E)-non-2-enoxy]butanoic acid

2-[(E)-non-2-enoxy]butanoic acid (PubChem CID 175496576) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 2-[(E)-non-2-enoxy]butanoic acid.

Molecular Properties

Compound Name2-[(E)-non-2-enoxy]butanoic acid
PubChem CID175496576
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name2-[(E)-non-2-enoxy]butanoic acid
SMILESCCCCCC/C=C/COC(CC)C(=O)O
InChIInChI=1S/C13H24O3/c1-3-5-6-7-8-9-10-11-16-12(4-2)13(14)15/h9-10,12H,3-8,11H2,1-2H3,(H,14,15)/b10-9+
InChIKeySIZDZUCFDJEFFB-MDZDMXLPSA-N
XLogP3.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
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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Related Compounds

2-tetradec-6-enoxybutanoic acid
CID 90725661
2-[(8Z,11Z,14Z)-octadeca-8,11,14-trienoxy]butanoic acid
CID 138680323
(Z)-2-methoxyoctadec-9-enoic acid
CID 46235517
carbonic acid;(Z)-octadec-9-ene
CID 87599003
2-[(E)-nonadec-2-enyl]propanedioic acid
CID 156873698
2-[(E)-dec-2-enyl]propanedioic acid
CID 156873573
acetic acid;(E)-tetradec-7-ene
CID 174697247
(2S,5Z,9Z)-2-acetyloxyhexacosa-5,9-dienoic acid
CID 101340359
(2S)-2-icosa-5,8,11,14,17-pentaenoxybutanoic acid
CID 91030738
2-[(5Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanoic acid
CID 118643971
2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanoic acid
CID 78210211
2-[(Z)-heptadec-10-enyl]propanedioic acid
CID 174772234

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-non-2-enoxy]butanoic acid?
The IUPAC name of 2-[(E)-non-2-enoxy]butanoic acid (CID 175496576) is 2-[(E)-non-2-enoxy]butanoic acid.
What is the SMILES notation for 2-[(E)-non-2-enoxy]butanoic acid?
The canonical SMILES for 2-[(E)-non-2-enoxy]butanoic acid is CCCCCC/C=C/COC(CC)C(=O)O.
What is the InChIKey of 2-[(E)-non-2-enoxy]butanoic acid?
The InChIKey is SIZDZUCFDJEFFB-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H24O3/c1-3-5-6-7-8-9-10-11-16-12(4-2)13(14)15/h9-10,12H,3-8,11H2,1-2H3,(H,14,15)/b10-9+.
What are the key properties of 2-[(E)-non-2-enoxy]butanoic acid?
2-[(E)-non-2-enoxy]butanoic acid has a molecular weight of 228.33 g/mol, XLogP of 3.39, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-non-2-enoxy]butanoic acid is sourced from PubChem (CID 175496576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).