(E)-2-(2-oxopropyl)tetradec-3-enoic acid

C17H30O3 — CID 134266543

IUPAC(E)-2-(2-oxopropyl)tetradec-3-enoic acid
SMILESCCCCCCCCCC/C=C/C(CC(C)=O)C(=O)O
InChIInChI=1S/C17H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-16(17(19)20)14-15(2)18/h12-13,16H,3-11,14H2,1-2H3,(H,19,20)/b13-12+
InChIKeyVHYAHKTVUZPVIL-OUKQBFOZSA-N
MW282.42 g/mol
LogP4.75
Rot. Bonds13

About (E)-2-(2-oxopropyl)tetradec-3-enoic acid

(E)-2-(2-oxopropyl)tetradec-3-enoic acid (PubChem CID 134266543) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is (E)-2-(2-oxopropyl)tetradec-3-enoic acid.

Molecular Properties

Compound Name(E)-2-(2-oxopropyl)tetradec-3-enoic acid
PubChem CID134266543
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name(E)-2-(2-oxopropyl)tetradec-3-enoic acid
SMILESCCCCCCCCCC/C=C/C(CC(C)=O)C(=O)O
InChIInChI=1S/C17H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-16(17(19)20)14-15(2)18/h12-13,16H,3-11,14H2,1-2H3,(H,19,20)/b13-12+
InChIKeyVHYAHKTVUZPVIL-OUKQBFOZSA-N
XLogP4.75
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.75
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'}

Analyze (E)-2-(2-oxopropyl)tetradec-3-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tetradec-1-enylbutanedioic acid
CID 3018655
2-tetracos-1-enylbutanedioic acid
CID 123737122
2-[(E)-dec-1-enyl]butanedioic acid
CID 6365755
CID 162317914
CID 162317914
azane;2-[(E)-oct-1-enyl]butanedioic acid
CID 173422131
cerium;2-dodec-1-enylbutanedioic acid
CID 174928288
azane;2-[(E)-dodec-1-enyl]butanedioic acid
CID 173459339
sodium;2-[(E)-dodec-1-enyl]butanedioic acid;hydride
CID 173295475
ethanol;2-oct-1-enylbutanedioic acid
CID 175445551
butane-1,1-diol;2-dodec-1-enylbutanedioic acid
CID 174804232
2-[(E)-hex-1-enyl]nonanoic acid
CID 89229549
(E)-2-ethylnon-3-enoic acid
CID 166071468

Frequently Asked Questions

What is the IUPAC name of (E)-2-(2-oxopropyl)tetradec-3-enoic acid?
The IUPAC name of (E)-2-(2-oxopropyl)tetradec-3-enoic acid (CID 134266543) is (E)-2-(2-oxopropyl)tetradec-3-enoic acid.
What is the SMILES notation for (E)-2-(2-oxopropyl)tetradec-3-enoic acid?
The canonical SMILES for (E)-2-(2-oxopropyl)tetradec-3-enoic acid is CCCCCCCCCC/C=C/C(CC(C)=O)C(=O)O.
What is the InChIKey of (E)-2-(2-oxopropyl)tetradec-3-enoic acid?
The InChIKey is VHYAHKTVUZPVIL-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-16(17(19)20)14-15(2)18/h12-13,16H,3-11,14H2,1-2H3,(H,19,20)/b13-12+.
What are the key properties of (E)-2-(2-oxopropyl)tetradec-3-enoic acid?
(E)-2-(2-oxopropyl)tetradec-3-enoic acid has a molecular weight of 282.42 g/mol, XLogP of 4.75, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2-oxopropyl)tetradec-3-enoic acid is sourced from PubChem (CID 134266543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).