(Z,2R)-2-hydroxytricos-14-enoic acid

C23H44O3 — CID 162876154

IUPAC(Z,2R)-2-hydroxytricos-14-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCCCCCC[C@@H](O)C(=O)O
InChIInChI=1S/C23H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(25)26/h9-10,22,24H,2-8,11-21H2,1H3,(H,25,26)/b10-9-/t22-/m1/s1
InChIKeyIWAIJBHTQSBAOZ-MZMPXXGTSA-N
MW368.60 g/mol
LogP7.03
Rot. Bonds20

About (Z,2R)-2-hydroxytricos-14-enoic acid

(Z,2R)-2-hydroxytricos-14-enoic acid (PubChem CID 162876154) has the molecular formula C23H44O3 and a molecular weight of 368.60 g/mol. Its IUPAC name is (Z,2R)-2-hydroxytricos-14-enoic acid.

Molecular Properties

Compound Name(Z,2R)-2-hydroxytricos-14-enoic acid
PubChem CID162876154
Molecular FormulaC23H44O3
Molecular Weight368.60 g/mol
Exact Mass368.33
IUPAC Name(Z,2R)-2-hydroxytricos-14-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCCCCCC[C@@H](O)C(=O)O
InChIInChI=1S/C23H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(25)26/h9-10,22,24H,2-8,11-21H2,1H3,(H,25,26)/b10-9-/t22-/m1/s1
InChIKeyIWAIJBHTQSBAOZ-MZMPXXGTSA-N
XLogP7.03
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.60
LogP ≤ 57.03
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
(E)-2-hydroxyicos-11-enoic acid
CID 87314905
(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 (Z,2R)-2-hydroxytricos-14-enoic acid?
The IUPAC name of (Z,2R)-2-hydroxytricos-14-enoic acid (CID 162876154) is (Z,2R)-2-hydroxytricos-14-enoic acid.
What is the SMILES notation for (Z,2R)-2-hydroxytricos-14-enoic acid?
The canonical SMILES for (Z,2R)-2-hydroxytricos-14-enoic acid is CCCCCCCC/C=C\CCCCCCCCCCC[C@@H](O)C(=O)O.
What is the InChIKey of (Z,2R)-2-hydroxytricos-14-enoic acid?
The InChIKey is IWAIJBHTQSBAOZ-MZMPXXGTSA-N. The full InChI is InChI=1S/C23H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(25)26/h9-10,22,24H,2-8,11-21H2,1H3,(H,25,26)/b10-9-/t22-/m1/s1.
What are the key properties of (Z,2R)-2-hydroxytricos-14-enoic acid?
(Z,2R)-2-hydroxytricos-14-enoic acid has a molecular weight of 368.60 g/mol, XLogP of 7.03, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-2-hydroxytricos-14-enoic acid is sourced from PubChem (CID 162876154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).