(2R)-2-hydroxyoctadec-3-enoic acid

C18H34O3 — CID 90827160

IUPAC(2R)-2-hydroxyoctadec-3-enoic acid
SMILESCCCCCCCCCCCCCCC=C[C@@H](O)C(=O)O
InChIInChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h15-17,19H,2-14H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyDFXJNNLDXLLTOL-QGZVFWFLSA-N
MW298.47 g/mol
LogP5.08
Rot. Bonds15

About (2R)-2-hydroxyoctadec-3-enoic acid

(2R)-2-hydroxyoctadec-3-enoic acid (PubChem CID 90827160) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is (2R)-2-hydroxyoctadec-3-enoic acid.

Molecular Properties

Compound Name(2R)-2-hydroxyoctadec-3-enoic acid
PubChem CID90827160
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Name(2R)-2-hydroxyoctadec-3-enoic acid
SMILESCCCCCCCCCCCCCCC=C[C@@H](O)C(=O)O
InChIInChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h15-17,19H,2-14H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyDFXJNNLDXLLTOL-QGZVFWFLSA-N
XLogP5.08
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.08
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

11,12,15-Theta
CID 11954043
11,14,15-Theta
CID 11954059
Trioxilin A3
CID 5283208
(5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoate
CID 46878369
Dehydroavocatin-1-acetate
CID 16757711
11,12,15-Trihydroxyeicosatrienoic acid
CID 6439610
(5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid
CID 9548609
methyl (E,2S)-2-hydroxyoctadec-3-enoate
CID 14376443
8,11,12-Trihydroxyicosa-5,9,14-trienoic acid
CID 125736
trioxilin A3(1-)
CID 86289466
(Z,2R)-2-hydroxytetracos-17-en-3-ynoic acid
CID 44566798
8,11,12-Trihydroxy-5,9,14-eicosatrienoic acid
CID 5815889

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxyoctadec-3-enoic acid?
The IUPAC name of (2R)-2-hydroxyoctadec-3-enoic acid (CID 90827160) is (2R)-2-hydroxyoctadec-3-enoic acid.
What is the SMILES notation for (2R)-2-hydroxyoctadec-3-enoic acid?
The canonical SMILES for (2R)-2-hydroxyoctadec-3-enoic acid is CCCCCCCCCCCCCCC=C[C@@H](O)C(=O)O.
What is the InChIKey of (2R)-2-hydroxyoctadec-3-enoic acid?
The InChIKey is DFXJNNLDXLLTOL-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h15-17,19H,2-14H2,1H3,(H,20,21)/t17-/m1/s1.
What are the key properties of (2R)-2-hydroxyoctadec-3-enoic acid?
(2R)-2-hydroxyoctadec-3-enoic acid has a molecular weight of 298.47 g/mol, XLogP of 5.08, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxyoctadec-3-enoic acid is sourced from PubChem (CID 90827160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).