(E)-tetracos-2-enoic acid

C24H46O2 — CID 6440260

IUPAC(E)-tetracos-2-enoic acid
SMILESCCCCCCCCCCCCCCCCCCCCC/C=C/C(=O)O
InChIInChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h22-23H,2-21H2,1H3,(H,25,26)/b23-22+
InChIKeyULNRTPCFRBIMKL-GHVJWSGMSA-N
MW366.63 g/mol
LogP8.45
Rot. Bonds21

About (E)-tetracos-2-enoic acid

(E)-tetracos-2-enoic acid (PubChem CID 6440260) has the molecular formula C24H46O2 and a molecular weight of 366.63 g/mol. Its IUPAC name is (E)-tetracos-2-enoic acid.

Molecular Properties

Compound Name(E)-tetracos-2-enoic acid
PubChem CID6440260
Molecular FormulaC24H46O2
Molecular Weight366.63 g/mol
Exact Mass366.35
IUPAC Name(E)-tetracos-2-enoic acid
SMILESCCCCCCCCCCCCCCCCCCCCC/C=C/C(=O)O
InChIInChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h22-23H,2-21H2,1H3,(H,25,26)/b23-22+
InChIKeyULNRTPCFRBIMKL-GHVJWSGMSA-N
XLogP8.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 58.45
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

trans-2-Octenoic acid
CID 5282714
Hexadecenoic Acid
CID 5282743
trans-2-Decenoic acid
CID 5282724
Octadecenoic Acid
CID 5282750
2-Decenoic acid
CID 94282
Dodec-2-enoic acid
CID 5282729
2-Nonenoic acid
CID 97730
2-Octenoic acid
CID 5282713
cis-2-Dodecenoic acid
CID 5312376
Nonenoic acid
CID 5312586
Trans-2-tetradecenoic acid
CID 5282738
cis-2-Decenoic acid
CID 5356596

Frequently Asked Questions

What is the IUPAC name of (E)-tetracos-2-enoic acid?
The IUPAC name of (E)-tetracos-2-enoic acid (CID 6440260) is (E)-tetracos-2-enoic acid.
What is the SMILES notation for (E)-tetracos-2-enoic acid?
The canonical SMILES for (E)-tetracos-2-enoic acid is CCCCCCCCCCCCCCCCCCCCC/C=C/C(=O)O.
What is the InChIKey of (E)-tetracos-2-enoic acid?
The InChIKey is ULNRTPCFRBIMKL-GHVJWSGMSA-N. The full InChI is InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h22-23H,2-21H2,1H3,(H,25,26)/b23-22+.
What are the key properties of (E)-tetracos-2-enoic acid?
(E)-tetracos-2-enoic acid has a molecular weight of 366.63 g/mol, XLogP of 8.45, 21 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-tetracos-2-enoic acid is sourced from PubChem (CID 6440260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).