(E)-2-hydroxyicos-11-enoic acid

C20H38O3 — CID 87314905

IUPAC(E)-2-hydroxyicos-11-enoic acid
SMILESCCCCCCCC/C=C/CCCCCCCCC(O)C(=O)O
InChIInChI=1S/C20H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23/h9-10,19,21H,2-8,11-18H2,1H3,(H,22,23)/b10-9+
InChIKeyBBCCRXOJXZHOGK-MDZDMXLPSA-N
MW326.52 g/mol
LogP5.86
Rot. Bonds17

About (E)-2-hydroxyicos-11-enoic acid

(E)-2-hydroxyicos-11-enoic acid (PubChem CID 87314905) has the molecular formula C20H38O3 and a molecular weight of 326.52 g/mol. Its IUPAC name is (E)-2-hydroxyicos-11-enoic acid.

Molecular Properties

Compound Name(E)-2-hydroxyicos-11-enoic acid
PubChem CID87314905
Molecular FormulaC20H38O3
Molecular Weight326.52 g/mol
Exact Mass326.28
IUPAC Name(E)-2-hydroxyicos-11-enoic acid
SMILESCCCCCCCC/C=C/CCCCCCCCC(O)C(=O)O
InChIInChI=1S/C20H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23/h9-10,19,21H,2-8,11-18H2,1H3,(H,22,23)/b10-9+
InChIKeyBBCCRXOJXZHOGK-MDZDMXLPSA-N
XLogP5.86
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 55.86
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

(Z)-2-hydroxyheptadec-8-enoic acid
CID 139771523
(Z,2R)-2-hydroxytricos-14-enoic acid
CID 162876154
(E)-2-hydroxydocos-13-enoic acid
CID 18923931
2-hydroxydocosa-9,13-dienoic acid
CID 139771533
2-hydroxydocos-5-enoic acid
CID 139910462
(Z)-hexadec-9-enoic acid;2-hydroxyhexadecanoic acid
CID 90010224
(Z)-2,17-dihydroxyoctadec-9-enedioic acid
CID 46781328
2-hydroxydecanoic acid
CID 161255514
2-hydroxyoctadecanoic acid
CID 87724091
2-hydroxytridecanoic acid
CID 5282901
(2R)-2-hydroxydecanoic acid
CID 13144006
2-hydroxytetradecanoic acid;titanium
CID 174290276

Frequently Asked Questions

What is the IUPAC name of (E)-2-hydroxyicos-11-enoic acid?
The IUPAC name of (E)-2-hydroxyicos-11-enoic acid (CID 87314905) is (E)-2-hydroxyicos-11-enoic acid.
What is the SMILES notation for (E)-2-hydroxyicos-11-enoic acid?
The canonical SMILES for (E)-2-hydroxyicos-11-enoic acid is CCCCCCCC/C=C/CCCCCCCCC(O)C(=O)O.
What is the InChIKey of (E)-2-hydroxyicos-11-enoic acid?
The InChIKey is BBCCRXOJXZHOGK-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23/h9-10,19,21H,2-8,11-18H2,1H3,(H,22,23)/b10-9+.
What are the key properties of (E)-2-hydroxyicos-11-enoic acid?
(E)-2-hydroxyicos-11-enoic acid has a molecular weight of 326.52 g/mol, XLogP of 5.86, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-hydroxyicos-11-enoic acid is sourced from PubChem (CID 87314905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).