2-hydroxydocos-5-enoic acid

C22H42O3 — CID 139910462

IUPAC2-hydroxydocos-5-enoic acid
SMILESCCCCCCCCCCCCCCCCC=CCCC(O)C(=O)O
InChIInChI=1S/C22H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(23)22(24)25/h17-18,21,23H,2-16,19-20H2,1H3,(H,24,25)
InChIKeyDXQAGKCERIVFRN-UHFFFAOYSA-N
MW354.58 g/mol
LogP6.64
Rot. Bonds19

About 2-hydroxydocos-5-enoic acid

2-hydroxydocos-5-enoic acid (PubChem CID 139910462) has the molecular formula C22H42O3 and a molecular weight of 354.58 g/mol. Its IUPAC name is 2-hydroxydocos-5-enoic acid.

Molecular Properties

Compound Name2-hydroxydocos-5-enoic acid
PubChem CID139910462
Molecular FormulaC22H42O3
Molecular Weight354.58 g/mol
Exact Mass354.31
IUPAC Name2-hydroxydocos-5-enoic acid
SMILESCCCCCCCCCCCCCCCCC=CCCC(O)C(=O)O
InChIInChI=1S/C22H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(23)22(24)25/h17-18,21,23H,2-16,19-20H2,1H3,(H,24,25)
InChIKeyDXQAGKCERIVFRN-UHFFFAOYSA-N
XLogP6.64
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.58
LogP ≤ 56.64
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-hydroxyicos-11-enoic acid
CID 87314905
(E)-2-hydroxydocos-13-enoic acid
CID 18923931
2-hydroxydocosa-9,13-dienoic acid
CID 139771533
10-(2-decylcyclopropyl)-2-hydroxydec-5-enoic acid
CID 72752348
(2S,5E,8E,10E,14E)-2-hydroxyicosa-5,8,10,14-tetraenoic acid
CID 87630755
(Z)-2-hydroxydodec-4-enoic acid
CID 134931228
(Z)-hexadec-9-enoic acid;2-hydroxyhexadecanoic acid
CID 90010224
(Z)-2,17-dihydroxyoctadec-9-enedioic acid
CID 46781328
2-[(Z)-heptadec-10-enyl]propanedioic acid
CID 174772234
2-hexadec-7-enylpropanedioic acid
CID 173063889

Frequently Asked Questions

What is the IUPAC name of 2-hydroxydocos-5-enoic acid?
The IUPAC name of 2-hydroxydocos-5-enoic acid (CID 139910462) is 2-hydroxydocos-5-enoic acid.
What is the SMILES notation for 2-hydroxydocos-5-enoic acid?
The canonical SMILES for 2-hydroxydocos-5-enoic acid is CCCCCCCCCCCCCCCCC=CCCC(O)C(=O)O.
What is the InChIKey of 2-hydroxydocos-5-enoic acid?
The InChIKey is DXQAGKCERIVFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(23)22(24)25/h17-18,21,23H,2-16,19-20H2,1H3,(H,24,25).
What are the key properties of 2-hydroxydocos-5-enoic acid?
2-hydroxydocos-5-enoic acid has a molecular weight of 354.58 g/mol, XLogP of 6.64, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxydocos-5-enoic acid is sourced from PubChem (CID 139910462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).