2-(2-hydroxyethyl)octadecanoic acid

C20H40O3 — CID 19915552

IUPAC2-(2-hydroxyethyl)octadecanoic acid
SMILESCCCCCCCCCCCCCCCCC(CCO)C(=O)O
InChIInChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(17-18-21)20(22)23/h19,21H,2-18H2,1H3,(H,22,23)
InChIKeyHLGOGBAJPTXZHW-UHFFFAOYSA-N
MW328.54 g/mol
LogP5.94
Rot. Bonds18

About 2-(2-hydroxyethyl)octadecanoic acid

2-(2-hydroxyethyl)octadecanoic acid (PubChem CID 19915552) has the molecular formula C20H40O3 and a molecular weight of 328.54 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)octadecanoic acid.

Molecular Properties

Compound Name2-(2-hydroxyethyl)octadecanoic acid
PubChem CID19915552
Molecular FormulaC20H40O3
Molecular Weight328.54 g/mol
Exact Mass328.30
IUPAC Name2-(2-hydroxyethyl)octadecanoic acid
SMILESCCCCCCCCCCCCCCCCC(CCO)C(=O)O
InChIInChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(17-18-21)20(22)23/h19,21H,2-18H2,1H3,(H,22,23)
InChIKeyHLGOGBAJPTXZHW-UHFFFAOYSA-N
XLogP5.94
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethyl)tetradecanoic acid
CID 54117326
2-(4-hydroxybutyl)octadecanoic acid
CID 88766543
2-(10-hydroxydecyl)icosanoic acid
CID 87534717
2-dodecyldotriacontanoic acid
CID 90853745
2-heptadecylicosanoic acid
CID 57459073
2-nonyldodecanoic acid
CID 57283654
2-pentyldodecanoic acid
CID 18521426
2-undecylhexadecanoic acid
CID 139670823
2-hexylpentacosanoic acid
CID 158257677
2-nonylpentadecanoic acid
CID 139605044
(2S)-2-heptyldecanoic acid
CID 171991627
2-dodecyloctacosanoic acid
CID 90897371

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)octadecanoic acid?
The IUPAC name of 2-(2-hydroxyethyl)octadecanoic acid (CID 19915552) is 2-(2-hydroxyethyl)octadecanoic acid.
What is the SMILES notation for 2-(2-hydroxyethyl)octadecanoic acid?
The canonical SMILES for 2-(2-hydroxyethyl)octadecanoic acid is CCCCCCCCCCCCCCCCC(CCO)C(=O)O.
What is the InChIKey of 2-(2-hydroxyethyl)octadecanoic acid?
The InChIKey is HLGOGBAJPTXZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(17-18-21)20(22)23/h19,21H,2-18H2,1H3,(H,22,23).
What are the key properties of 2-(2-hydroxyethyl)octadecanoic acid?
2-(2-hydroxyethyl)octadecanoic acid has a molecular weight of 328.54 g/mol, XLogP of 5.94, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)octadecanoic acid is sourced from PubChem (CID 19915552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).