5-(2-hydroxyheptadecoxy)pentanoic acid

C22H44O4 — CID 139709374

IUPAC5-(2-hydroxyheptadecoxy)pentanoic acid
SMILESCCCCCCCCCCCCCCCC(O)COCCCCC(=O)O
InChIInChI=1S/C22H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21(23)20-26-19-16-15-18-22(24)25/h21,23H,2-20H2,1H3,(H,24,25)
InChIKeyDORPSOWLFSLJAL-UHFFFAOYSA-N
MW372.59 g/mol
LogP6.10
Rot. Bonds21

About 5-(2-hydroxyheptadecoxy)pentanoic acid

5-(2-hydroxyheptadecoxy)pentanoic acid (PubChem CID 139709374) has the molecular formula C22H44O4 and a molecular weight of 372.59 g/mol. Its IUPAC name is 5-(2-hydroxyheptadecoxy)pentanoic acid.

Molecular Properties

Compound Name5-(2-hydroxyheptadecoxy)pentanoic acid
PubChem CID139709374
Molecular FormulaC22H44O4
Molecular Weight372.59 g/mol
Exact Mass372.32
IUPAC Name5-(2-hydroxyheptadecoxy)pentanoic acid
SMILESCCCCCCCCCCCCCCCC(O)COCCCCC(=O)O
InChIInChI=1S/C22H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21(23)20-26-19-16-15-18-22(24)25/h21,23H,2-20H2,1H3,(H,24,25)
InChIKeyDORPSOWLFSLJAL-UHFFFAOYSA-N
XLogP6.10
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.59
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

18-(12-hydroxyoctadecoxy)octadecanoic acid
CID 121473917
1-octoxydecan-2-ol
CID 57119039
1-octadecoxyicosan-2-ol
CID 88758338
1-hydroxy-8-[(2S)-2-hydroxyheptoxy]octan-2-one
CID 167292580
hexadecan-7-ol;octadecanoic acid
CID 174589795
9-hydroxyheptadecanoic acid
CID 86012010
11-hydroxydocosanoic acid
CID 86066603
12-hydroxyheptacosanoic acid
CID 169276954
20-hydroxyoctacosanoic acid
CID 169277392
21-hydroxyheptacosanoic acid
CID 169277079
(9R)-9-hydroxytetradecanoic acid
CID 22822871
14-hydroxypentacosanoic acid
CID 169276940

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyheptadecoxy)pentanoic acid?
The IUPAC name of 5-(2-hydroxyheptadecoxy)pentanoic acid (CID 139709374) is 5-(2-hydroxyheptadecoxy)pentanoic acid.
What is the SMILES notation for 5-(2-hydroxyheptadecoxy)pentanoic acid?
The canonical SMILES for 5-(2-hydroxyheptadecoxy)pentanoic acid is CCCCCCCCCCCCCCCC(O)COCCCCC(=O)O.
What is the InChIKey of 5-(2-hydroxyheptadecoxy)pentanoic acid?
The InChIKey is DORPSOWLFSLJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21(23)20-26-19-16-15-18-22(24)25/h21,23H,2-20H2,1H3,(H,24,25).
What are the key properties of 5-(2-hydroxyheptadecoxy)pentanoic acid?
5-(2-hydroxyheptadecoxy)pentanoic acid has a molecular weight of 372.59 g/mol, XLogP of 6.10, 21 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyheptadecoxy)pentanoic acid is sourced from PubChem (CID 139709374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).