10-hydroxytricosa-12,15-dienoic acid

C23H42O3 — CID 169277481

IUPAC10-hydroxytricosa-12,15-dienoic acid
SMILESCCCCCCCC=CCC=CCC(O)CCCCCCCCC(=O)O
InChIInChI=1S/C23H42O3/c1-2-3-4-5-6-7-8-9-10-13-16-19-22(24)20-17-14-11-12-15-18-21-23(25)26/h8-9,13,16,22,24H,2-7,10-12,14-15,17-21H2,1H3,(H,25,26)
InChIKeyDIVJKOOEIMVUTC-UHFFFAOYSA-N
MW366.59 g/mol
LogP6.81
Rot. Bonds19

About 10-hydroxytricosa-12,15-dienoic acid

10-hydroxytricosa-12,15-dienoic acid (PubChem CID 169277481) has the molecular formula C23H42O3 and a molecular weight of 366.59 g/mol. Its IUPAC name is 10-hydroxytricosa-12,15-dienoic acid.

Molecular Properties

Compound Name10-hydroxytricosa-12,15-dienoic acid
PubChem CID169277481
Molecular FormulaC23H42O3
Molecular Weight366.59 g/mol
Exact Mass366.31
IUPAC Name10-hydroxytricosa-12,15-dienoic acid
SMILESCCCCCCCC=CCC=CCC(O)CCCCCCCCC(=O)O
InChIInChI=1S/C23H42O3/c1-2-3-4-5-6-7-8-9-10-13-16-19-22(24)20-17-14-11-12-15-18-21-23(25)26/h8-9,13,16,22,24H,2-7,10-12,14-15,17-21H2,1H3,(H,25,26)
InChIKeyDIVJKOOEIMVUTC-UHFFFAOYSA-N
XLogP6.81
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 56.81
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

15-hydroxynonacosa-17,20-dienoic acid
CID 169277174
16-hydroxytriaconta-18,21-dienoic acid
CID 169276960
17-hydroxytriaconta-19,22-dienoic acid
CID 169277268
11-hydroxynonacosa-13,16-dienoic acid
CID 169276815
10-hydroxytetracosa-12,15-dienoic acid
CID 169276974
(Z)-12-hydroxyoctadec-9-enoic acid
CID 5282942
12-hydroxyicos-14-enoic acid
CID 169277255
12-hydroxyhenicos-14-enoic acid
CID 169277303
(Z)-7-hydroxyoctadec-9-enoic acid
CID 101326222
CID 131874957
CID 131874957
(Z,12R)-12-hydroxyoctadec-9-enoic acid;silver
CID 174840171
CID 175884069
CID 175884069

Frequently Asked Questions

What is the IUPAC name of 10-hydroxytricosa-12,15-dienoic acid?
The IUPAC name of 10-hydroxytricosa-12,15-dienoic acid (CID 169277481) is 10-hydroxytricosa-12,15-dienoic acid.
What is the SMILES notation for 10-hydroxytricosa-12,15-dienoic acid?
The canonical SMILES for 10-hydroxytricosa-12,15-dienoic acid is CCCCCCCC=CCC=CCC(O)CCCCCCCCC(=O)O.
What is the InChIKey of 10-hydroxytricosa-12,15-dienoic acid?
The InChIKey is DIVJKOOEIMVUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O3/c1-2-3-4-5-6-7-8-9-10-13-16-19-22(24)20-17-14-11-12-15-18-21-23(25)26/h8-9,13,16,22,24H,2-7,10-12,14-15,17-21H2,1H3,(H,25,26).
What are the key properties of 10-hydroxytricosa-12,15-dienoic acid?
10-hydroxytricosa-12,15-dienoic acid has a molecular weight of 366.59 g/mol, XLogP of 6.81, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxytricosa-12,15-dienoic acid is sourced from PubChem (CID 169277481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).