(E)-tetracos-20-enoic acid

C24H46O2 — CID 171117693

IUPAC(E)-tetracos-20-enoic acid
SMILESCCC/C=C/CCCCCCCCCCCCCCCCCCC(=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/h4-5H,2-3,6-23H2,1H3,(H,25,26)/b5-4+
InChIKeySZPFBJQAKQWHBW-SNAWJCMRSA-N
MW366.63 g/mol
LogP8.45
Rot. Bonds21

About (E)-tetracos-20-enoic acid

(E)-tetracos-20-enoic acid (PubChem CID 171117693) has the molecular formula C24H46O2 and a molecular weight of 366.63 g/mol. Its IUPAC name is (E)-tetracos-20-enoic acid.

Molecular Properties

Compound Name(E)-tetracos-20-enoic acid
PubChem CID171117693
Molecular FormulaC24H46O2
Molecular Weight366.63 g/mol
Exact Mass366.35
IUPAC Name(E)-tetracos-20-enoic acid
SMILESCCC/C=C/CCCCCCCCCCCCCCCCCCC(=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/h4-5H,2-3,6-23H2,1H3,(H,25,26)/b5-4+
InChIKeySZPFBJQAKQWHBW-SNAWJCMRSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-undec-7-enoic acid
CID 5312729
(11Z,14Z)-octadeca-11,14-dienoic acid
CID 5312450
henicosa-11,14,17-trienoic acid
CID 169277280
(9Z)-hexadeca-9,12-dienoic acid
CID 87441116
(8E,11E,14E)-octadeca-8,11,14-trienoic acid
CID 6507258
(10E,12Z)-hexadeca-10,12-dienoic acid
CID 87408133
triacont-6-enoic acid
CID 169276816
tetradec-8-enoic acid
CID 54338786
docos-14-enoic acid
CID 54090186
(E)-hexadec-8-enoic acid
CID 6430788
hexadec-9-enoic acid;(Z)-hexadec-9-enoic acid
CID 87100136
(Z)-hexadec-9-enoic acid;octadecanoic acid;(Z)-octadec-9-enoic acid
CID 157299242

Frequently Asked Questions

What is the IUPAC name of (E)-tetracos-20-enoic acid?
The IUPAC name of (E)-tetracos-20-enoic acid (CID 171117693) is (E)-tetracos-20-enoic acid.
What is the SMILES notation for (E)-tetracos-20-enoic acid?
The canonical SMILES for (E)-tetracos-20-enoic acid is CCC/C=C/CCCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of (E)-tetracos-20-enoic acid?
The InChIKey is SZPFBJQAKQWHBW-SNAWJCMRSA-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/h4-5H,2-3,6-23H2,1H3,(H,25,26)/b5-4+.
What are the key properties of (E)-tetracos-20-enoic acid?
(E)-tetracos-20-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-20-enoic acid is sourced from PubChem (CID 171117693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).