18-hydroxy-2,2-dimethyloctadecanoic acid

C20H40O3 — CID 12988628

IUPAC18-hydroxy-2,2-dimethyloctadecanoic acid
SMILESCC(C)(CCCCCCCCCCCCCCCCO)C(=O)O
InChIInChI=1S/C20H40O3/c1-20(2,19(22)23)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-21/h21H,3-18H2,1-2H3,(H,22,23)
InChIKeyACLNNOMMUVJLSA-UHFFFAOYSA-N
MW328.54 g/mol
LogP5.94
Rot. Bonds17

About 18-hydroxy-2,2-dimethyloctadecanoic acid

18-hydroxy-2,2-dimethyloctadecanoic acid (PubChem CID 12988628) has the molecular formula C20H40O3 and a molecular weight of 328.54 g/mol. Its IUPAC name is 18-hydroxy-2,2-dimethyloctadecanoic acid.

Molecular Properties

Compound Name18-hydroxy-2,2-dimethyloctadecanoic acid
PubChem CID12988628
Molecular FormulaC20H40O3
Molecular Weight328.54 g/mol
Exact Mass328.30
IUPAC Name18-hydroxy-2,2-dimethyloctadecanoic acid
SMILESCC(C)(CCCCCCCCCCCCCCCCO)C(=O)O
InChIInChI=1S/C20H40O3/c1-20(2,19(22)23)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-21/h21H,3-18H2,1-2H3,(H,22,23)
InChIKeyACLNNOMMUVJLSA-UHFFFAOYSA-N
XLogP5.94
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
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

azane;5-hydroxy-2,2-dimethylpentanoic acid
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7-hydroxy-2,2-dimethylheptanoyl chloride
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tris(2,2-dimethyldecanoic acid);neodymium
CID 162514792
2,2-dimethylicosanedioic acid
CID 87760954
2,2-dimethyloctanedioic acid
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6-hydroxy-2,2-dimethylhexanamide
CID 21402976
2-(4-hydroxybutyl)-2-methylpropanedioic acid
CID 11788743
magnesium;2,2-dimethyloctanoic acid;hydride
CID 173414745
2-amino-6-hydroxy-2-methylhexanoic acid
CID 22000473
8-hydroxy-2-methyl-2-propan-2-yloctanoic acid
CID 107704755

Frequently Asked Questions

What is the IUPAC name of 18-hydroxy-2,2-dimethyloctadecanoic acid?
The IUPAC name of 18-hydroxy-2,2-dimethyloctadecanoic acid (CID 12988628) is 18-hydroxy-2,2-dimethyloctadecanoic acid.
What is the SMILES notation for 18-hydroxy-2,2-dimethyloctadecanoic acid?
The canonical SMILES for 18-hydroxy-2,2-dimethyloctadecanoic acid is CC(C)(CCCCCCCCCCCCCCCCO)C(=O)O.
What is the InChIKey of 18-hydroxy-2,2-dimethyloctadecanoic acid?
The InChIKey is ACLNNOMMUVJLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O3/c1-20(2,19(22)23)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-21/h21H,3-18H2,1-2H3,(H,22,23).
What are the key properties of 18-hydroxy-2,2-dimethyloctadecanoic acid?
18-hydroxy-2,2-dimethyloctadecanoic acid has a molecular weight of 328.54 g/mol, XLogP of 5.94, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-hydroxy-2,2-dimethyloctadecanoic acid is sourced from PubChem (CID 12988628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).