19-hydroxytricos-21-enoic acid

C23H44O3 — CID 169277159

IUPAC19-hydroxytricos-21-enoic acid
SMILESCC=CCC(O)CCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C23H44O3/c1-2-3-19-22(24)20-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-21-23(25)26/h2-3,22,24H,4-21H2,1H3,(H,25,26)
InChIKeyRQVOWXSQUUTIDN-UHFFFAOYSA-N
MW368.60 g/mol
LogP7.03
Rot. Bonds20

About 19-hydroxytricos-21-enoic acid

19-hydroxytricos-21-enoic acid (PubChem CID 169277159) has the molecular formula C23H44O3 and a molecular weight of 368.60 g/mol. Its IUPAC name is 19-hydroxytricos-21-enoic acid.

Molecular Properties

Compound Name19-hydroxytricos-21-enoic acid
PubChem CID169277159
Molecular FormulaC23H44O3
Molecular Weight368.60 g/mol
Exact Mass368.33
IUPAC Name19-hydroxytricos-21-enoic acid
SMILESCC=CCC(O)CCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C23H44O3/c1-2-3-19-22(24)20-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-21-23(25)26/h2-3,22,24H,4-21H2,1H3,(H,25,26)
InChIKeyRQVOWXSQUUTIDN-UHFFFAOYSA-N
XLogP7.03
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.60
LogP ≤ 57.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

22-hydroxynonacosa-24,27-dienoic acid
CID 169277076
12-hydroxyheptadec-14-enoic acid
CID 169277009
17-hydroxydocos-19-enoic acid
CID 169277016
non-2-en-5-ol;(Z)-octadec-9-enoic acid
CID 158473796
(12R,31R)-12,31-dihydroxydotetraconta-9,33-dienedioic acid
CID 54536675
11-hydroxyheptadec-13-enoic acid
CID 169277331
(Z)-12-hydroxyoctadec-9-enoic acid
CID 5282942
12-hydroxyicos-14-enoic acid
CID 169277255
(Z)-7-hydroxyoctadec-9-enoic acid
CID 101326222
12-hydroxyhenicos-14-enoic acid
CID 169277303
(Z,12R)-12-hydroxyoctadec-9-enoic acid;silver
CID 174840171
CID 131874957
CID 131874957

Frequently Asked Questions

What is the IUPAC name of 19-hydroxytricos-21-enoic acid?
The IUPAC name of 19-hydroxytricos-21-enoic acid (CID 169277159) is 19-hydroxytricos-21-enoic acid.
What is the SMILES notation for 19-hydroxytricos-21-enoic acid?
The canonical SMILES for 19-hydroxytricos-21-enoic acid is CC=CCC(O)CCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 19-hydroxytricos-21-enoic acid?
The InChIKey is RQVOWXSQUUTIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O3/c1-2-3-19-22(24)20-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-21-23(25)26/h2-3,22,24H,4-21H2,1H3,(H,25,26).
What are the key properties of 19-hydroxytricos-21-enoic acid?
19-hydroxytricos-21-enoic acid has a molecular weight of 368.60 g/mol, XLogP of 7.03, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 19-hydroxytricos-21-enoic acid is sourced from PubChem (CID 169277159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).