5,8-dihydroxyoctadec-2-enoic acid

C18H34O4 — CID 162533273

IUPAC5,8-dihydroxyoctadec-2-enoic acid
SMILESCCCCCCCCCCC(O)CCC(O)CC=CC(=O)O
InChIInChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-11-16(19)14-15-17(20)12-10-13-18(21)22/h10,13,16-17,19-20H,2-9,11-12,14-15H2,1H3,(H,21,22)
InChIKeyFNFMVCLMXHUBQX-UHFFFAOYSA-N
MW314.47 g/mol
LogP4.05
Rot. Bonds15

About 5,8-dihydroxyoctadec-2-enoic acid

5,8-dihydroxyoctadec-2-enoic acid (PubChem CID 162533273) has the molecular formula C18H34O4 and a molecular weight of 314.47 g/mol. Its IUPAC name is 5,8-dihydroxyoctadec-2-enoic acid.

Molecular Properties

Compound Name5,8-dihydroxyoctadec-2-enoic acid
PubChem CID162533273
Molecular FormulaC18H34O4
Molecular Weight314.47 g/mol
Exact Mass314.25
IUPAC Name5,8-dihydroxyoctadec-2-enoic acid
SMILESCCCCCCCCCCC(O)CCC(O)CC=CC(=O)O
InChIInChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-11-16(19)14-15-17(20)12-10-13-18(21)22/h10,13,16-17,19-20H,2-9,11-12,14-15H2,1H3,(H,21,22)
InChIKeyFNFMVCLMXHUBQX-UHFFFAOYSA-N
XLogP4.05
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-hydroxyundec-2-enoic acid
CID 54094975
7,10,13-trihydroxyoctadec-2-enoic acid
CID 146242236
14-hydroxyicos-2-enoic acid
CID 54225996
(E)-9,12,13-trihydroxyoctadec-2-enoic acid
CID 87252445
11-hydroxypentadec-2-enoic acid
CID 162983544
(Z)-5-methylundec-2-enoic acid
CID 155211364
(E,6R)-6-hydroxydodec-3-enoic acid
CID 87722437
(3R)-3,8-dihydroxytetradec-5-enoic acid
CID 57012260
7,10,14-trihydroxyoctadec-2-enoic acid
CID 146242425
(E,5R,8R,12S)-5,8,12-trihydroxyoctadec-9-enoic acid
CID 163029856
methyl (E)-5-hydroxydec-2-enoate
CID 134979817
(2E,4E,6E)-15-hydroxyicosa-2,4,6-trienoic acid
CID 6439617

Frequently Asked Questions

What is the IUPAC name of 5,8-dihydroxyoctadec-2-enoic acid?
The IUPAC name of 5,8-dihydroxyoctadec-2-enoic acid (CID 162533273) is 5,8-dihydroxyoctadec-2-enoic acid.
What is the SMILES notation for 5,8-dihydroxyoctadec-2-enoic acid?
The canonical SMILES for 5,8-dihydroxyoctadec-2-enoic acid is CCCCCCCCCCC(O)CCC(O)CC=CC(=O)O.
What is the InChIKey of 5,8-dihydroxyoctadec-2-enoic acid?
The InChIKey is FNFMVCLMXHUBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-11-16(19)14-15-17(20)12-10-13-18(21)22/h10,13,16-17,19-20H,2-9,11-12,14-15H2,1H3,(H,21,22).
What are the key properties of 5,8-dihydroxyoctadec-2-enoic acid?
5,8-dihydroxyoctadec-2-enoic acid has a molecular weight of 314.47 g/mol, XLogP of 4.05, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dihydroxyoctadec-2-enoic acid is sourced from PubChem (CID 162533273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).