17-hydroxytriaconta-19,22-dienoic acid

C30H56O3 — CID 169277268

IUPAC17-hydroxytriaconta-19,22-dienoic acid
SMILESCCCCCCCC=CCC=CCC(O)CCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C30H56O3/c1-2-3-4-5-6-7-11-14-17-20-23-26-29(31)27-24-21-18-15-12-9-8-10-13-16-19-22-25-28-30(32)33/h11,14,20,23,29,31H,2-10,12-13,15-19,21-22,24-28H2,1H3,(H,32,33)
InChIKeyGSMPWUAOGXZSDJ-UHFFFAOYSA-N
MW464.78 g/mol
LogP9.54
Rot. Bonds26

About 17-hydroxytriaconta-19,22-dienoic acid

17-hydroxytriaconta-19,22-dienoic acid (PubChem CID 169277268) has the molecular formula C30H56O3 and a molecular weight of 464.78 g/mol. Its IUPAC name is 17-hydroxytriaconta-19,22-dienoic acid.

Molecular Properties

Compound Name17-hydroxytriaconta-19,22-dienoic acid
PubChem CID169277268
Molecular FormulaC30H56O3
Molecular Weight464.78 g/mol
Exact Mass464.42
IUPAC Name17-hydroxytriaconta-19,22-dienoic acid
SMILESCCCCCCCC=CCC=CCC(O)CCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C30H56O3/c1-2-3-4-5-6-7-11-14-17-20-23-26-29(31)27-24-21-18-15-12-9-8-10-13-16-19-22-25-28-30(32)33/h11,14,20,23,29,31H,2-10,12-13,15-19,21-22,24-28H2,1H3,(H,32,33)
InChIKeyGSMPWUAOGXZSDJ-UHFFFAOYSA-N
XLogP9.54
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.78
LogP ≤ 59.54
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
11-hydroxynonacosa-13,16-dienoic acid
CID 169276815
10-hydroxytetracosa-12,15-dienoic acid
CID 169276974
10-hydroxytricosa-12,15-dienoic acid
CID 169277481
(Z)-7-hydroxyoctadec-9-enoic acid
CID 101326222
(Z)-12-hydroxyoctadec-9-enoic acid
CID 5282942
12-hydroxyicos-14-enoic acid
CID 169277255
12-hydroxyhenicos-14-enoic acid
CID 169277303
(Z,12R)-12-hydroxyoctadec-9-enoic acid;silver
CID 174840171
CID 131874957
CID 131874957
CID 175884069
CID 175884069

Frequently Asked Questions

What is the IUPAC name of 17-hydroxytriaconta-19,22-dienoic acid?
The IUPAC name of 17-hydroxytriaconta-19,22-dienoic acid (CID 169277268) is 17-hydroxytriaconta-19,22-dienoic acid.
What is the SMILES notation for 17-hydroxytriaconta-19,22-dienoic acid?
The canonical SMILES for 17-hydroxytriaconta-19,22-dienoic acid is CCCCCCCC=CCC=CCC(O)CCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 17-hydroxytriaconta-19,22-dienoic acid?
The InChIKey is GSMPWUAOGXZSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H56O3/c1-2-3-4-5-6-7-11-14-17-20-23-26-29(31)27-24-21-18-15-12-9-8-10-13-16-19-22-25-28-30(32)33/h11,14,20,23,29,31H,2-10,12-13,15-19,21-22,24-28H2,1H3,(H,32,33).
What are the key properties of 17-hydroxytriaconta-19,22-dienoic acid?
17-hydroxytriaconta-19,22-dienoic acid has a molecular weight of 464.78 g/mol, XLogP of 9.54, 26 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-hydroxytriaconta-19,22-dienoic acid is sourced from PubChem (CID 169277268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).