14-hydroxydotriacont-20-enoic acid

C32H62O3 — CID 168720018

IUPAC14-hydroxydotriacont-20-enoic acid
SMILESCCCCCCCCCCCC=CCCCCCC(O)CCCCCCCCCCCCC(=O)O
InChIInChI=1S/C32H62O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-22-25-28-31(33)29-26-23-20-17-14-15-18-21-24-27-30-32(34)35/h12-13,31,33H,2-11,14-30H2,1H3,(H,34,35)
InChIKeyUGLGUCBKCTZQRW-UHFFFAOYSA-N
MW494.85 g/mol
LogP10.54
Rot. Bonds29

About 14-hydroxydotriacont-20-enoic acid

14-hydroxydotriacont-20-enoic acid (PubChem CID 168720018) has the molecular formula C32H62O3 and a molecular weight of 494.85 g/mol. Its IUPAC name is 14-hydroxydotriacont-20-enoic acid.

Molecular Properties

Compound Name14-hydroxydotriacont-20-enoic acid
PubChem CID168720018
Molecular FormulaC32H62O3
Molecular Weight494.85 g/mol
Exact Mass494.47
IUPAC Name14-hydroxydotriacont-20-enoic acid
SMILESCCCCCCCCCCCC=CCCCCCC(O)CCCCCCCCCCCCC(=O)O
InChIInChI=1S/C32H62O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-22-25-28-31(33)29-26-23-20-17-14-15-18-21-24-27-30-32(34)35/h12-13,31,33H,2-11,14-30H2,1H3,(H,34,35)
InChIKeyUGLGUCBKCTZQRW-UHFFFAOYSA-N
XLogP10.54
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.85
LogP ≤ 510.54
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)-8-hydroxytetracos-15-enoic acid
CID 161317669
(Z)-15-hydroxyoctadec-6-enoic acid
CID 87225177
(E)-13-hydroxyhexadec-6-enoic acid
CID 87224864
12-hydroxyicos-14-enoic acid
CID 169277255
(Z)-12-hydroxyoctadec-9-enoic acid
CID 5282942
12-hydroxyhenicos-14-enoic acid
CID 169277303
(Z)-7-hydroxyoctadec-9-enoic acid
CID 101326222
(Z)-20,21-dihydroxyhenicos-9-enoic acid;(Z)-octadec-9-enoic acid
CID 158902601
4-hydroxydocosa-9,13-dienoic acid
CID 139805405
(Z,12R)-12-hydroxyoctadec-9-enoic acid;silver
CID 174840171
CID 131874957
CID 131874957
CID 175884069
CID 175884069

Frequently Asked Questions

What is the IUPAC name of 14-hydroxydotriacont-20-enoic acid?
The IUPAC name of 14-hydroxydotriacont-20-enoic acid (CID 168720018) is 14-hydroxydotriacont-20-enoic acid.
What is the SMILES notation for 14-hydroxydotriacont-20-enoic acid?
The canonical SMILES for 14-hydroxydotriacont-20-enoic acid is CCCCCCCCCCCC=CCCCCCC(O)CCCCCCCCCCCCC(=O)O.
What is the InChIKey of 14-hydroxydotriacont-20-enoic acid?
The InChIKey is UGLGUCBKCTZQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H62O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-22-25-28-31(33)29-26-23-20-17-14-15-18-21-24-27-30-32(34)35/h12-13,31,33H,2-11,14-30H2,1H3,(H,34,35).
What are the key properties of 14-hydroxydotriacont-20-enoic acid?
14-hydroxydotriacont-20-enoic acid has a molecular weight of 494.85 g/mol, XLogP of 10.54, 29 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-hydroxydotriacont-20-enoic acid is sourced from PubChem (CID 168720018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).