(Z)-tricos-5-enoic acid

C23H44O2 — CID 170849785

IUPAC(Z)-tricos-5-enoic acid
SMILESCCCCCCCCCCCCCCCCC/C=C\CCCC(=O)O
InChIInChI=1S/C23H44O2/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/h18-19H,2-17,20-22H2,1H3,(H,24,25)/b19-18-
InChIKeyDZRJVMWDECTFBT-HNENSFHCSA-N
MW352.60 g/mol
LogP8.06
Rot. Bonds20

About (Z)-tricos-5-enoic acid

(Z)-tricos-5-enoic acid (PubChem CID 170849785) has the molecular formula C23H44O2 and a molecular weight of 352.60 g/mol. Its IUPAC name is (Z)-tricos-5-enoic acid.

Molecular Properties

Compound Name(Z)-tricos-5-enoic acid
PubChem CID170849785
Molecular FormulaC23H44O2
Molecular Weight352.60 g/mol
Exact Mass352.33
IUPAC Name(Z)-tricos-5-enoic acid
SMILESCCCCCCCCCCCCCCCCC/C=C\CCCC(=O)O
InChIInChI=1S/C23H44O2/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/h18-19H,2-17,20-22H2,1H3,(H,24,25)/b19-18-
InChIKeyDZRJVMWDECTFBT-HNENSFHCSA-N
XLogP8.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.60
LogP ≤ 58.06
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

(Z)-tetradec-5-enoic acid
CID 5312400
heptacos-5-enoic acid
CID 169277466
(5Z,9Z)-heptacosa-5,9-dienoic acid
CID 44567153
(5E,9E)-hexacosa-5,9-dienoic acid
CID 5312573
(5E,9E,23E)-nonacosa-5,9,23-trienoic acid
CID 15613193
(5Z,9Z)-triaconta-5,9-dienoic acid
CID 14753662
(5E,9E)-triaconta-5,9-dienoic acid
CID 14753661
icos-8-enoic acid
CID 53436342
(E)-docos-13-enoic acid
CID 87103770
octacos-17-enoic acid
CID 169276993
icos-14-enoic acid
CID 53394634
hexadec-9-enoic acid;(Z)-hexadec-9-enoic acid
CID 87100136

Frequently Asked Questions

What is the IUPAC name of (Z)-tricos-5-enoic acid?
The IUPAC name of (Z)-tricos-5-enoic acid (CID 170849785) is (Z)-tricos-5-enoic acid.
What is the SMILES notation for (Z)-tricos-5-enoic acid?
The canonical SMILES for (Z)-tricos-5-enoic acid is CCCCCCCCCCCCCCCCC/C=C\CCCC(=O)O.
What is the InChIKey of (Z)-tricos-5-enoic acid?
The InChIKey is DZRJVMWDECTFBT-HNENSFHCSA-N. The full InChI is InChI=1S/C23H44O2/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/h18-19H,2-17,20-22H2,1H3,(H,24,25)/b19-18-.
What are the key properties of (Z)-tricos-5-enoic acid?
(Z)-tricos-5-enoic acid has a molecular weight of 352.60 g/mol, XLogP of 8.06, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-tricos-5-enoic acid is sourced from PubChem (CID 170849785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).