(E)-3-ethylundec-2-enoic acid

C13H24O2 — CID 19989078

IUPAC(E)-3-ethylundec-2-enoic acid
SMILESCCCCCCCC/C(=C/C(=O)O)CC
InChIInChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-12(4-2)11-13(14)15/h11H,3-10H2,1-2H3,(H,14,15)/b12-11+
InChIKeyDGFTWPLUNSGYME-VAWYXSNFSA-N
MW212.33 g/mol
LogP4.16
Rot. Bonds9

About (E)-3-ethylundec-2-enoic acid

(E)-3-ethylundec-2-enoic acid (PubChem CID 19989078) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (E)-3-ethylundec-2-enoic acid.

Molecular Properties

Compound Name(E)-3-ethylundec-2-enoic acid
PubChem CID19989078
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(E)-3-ethylundec-2-enoic acid
SMILESCCCCCCCC/C(=C/C(=O)O)CC
InChIInChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-12(4-2)11-13(14)15/h11H,3-10H2,1-2H3,(H,14,15)/b12-11+
InChIKeyDGFTWPLUNSGYME-VAWYXSNFSA-N
XLogP4.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Related Compounds

(E)-3-heptylundec-2-enoic acid
CID 176810825
3-pentyloct-2-enoic acid
CID 89457435
(E)-3-propylnon-2-enoic acid
CID 176810822
(Z)-3-[(E)-dodec-4-enyl]nonadec-2-enoic acid
CID 118870209
(Z)-2-decylbut-2-enedioic acid
CID 18386424
(E)-3-acetyltridec-2-enoic acid
CID 87707693
sodium;(Z)-2-hexadecylbut-2-enedioic acid;hydride
CID 173462321
(Z)-3-sulfanylcarbonylpentadec-2-enoic acid
CID 141134587
(E)-3-heptylundec-2-enoyl chloride
CID 178067442
(E)-2-octadecanoylbut-2-enedioic acid
CID 87703911
(2E,4E)-3,5-dimethylicosa-2,4-dienoic acid
CID 11056828
(Z)-3-(dimethylcarbamoyl)non-2-enoic acid
CID 139703597

Frequently Asked Questions

What is the IUPAC name of (E)-3-ethylundec-2-enoic acid?
The IUPAC name of (E)-3-ethylundec-2-enoic acid (CID 19989078) is (E)-3-ethylundec-2-enoic acid.
What is the SMILES notation for (E)-3-ethylundec-2-enoic acid?
The canonical SMILES for (E)-3-ethylundec-2-enoic acid is CCCCCCCC/C(=C/C(=O)O)CC.
What is the InChIKey of (E)-3-ethylundec-2-enoic acid?
The InChIKey is DGFTWPLUNSGYME-VAWYXSNFSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-12(4-2)11-13(14)15/h11H,3-10H2,1-2H3,(H,14,15)/b12-11+.
What are the key properties of (E)-3-ethylundec-2-enoic acid?
(E)-3-ethylundec-2-enoic acid has a molecular weight of 212.33 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethylundec-2-enoic acid is sourced from PubChem (CID 19989078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).