3-tert-butyl-3-hydroxydecanoic acid

C14H28O3 — CID 154176683

IUPAC3-tert-butyl-3-hydroxydecanoic acid
SMILESCCCCCCCC(O)(CC(=O)O)C(C)(C)C
InChIInChI=1S/C14H28O3/c1-5-6-7-8-9-10-14(17,11-12(15)16)13(2,3)4/h17H,5-11H2,1-4H3,(H,15,16)
InChIKeyLPDZBLDPSNUJNC-UHFFFAOYSA-N
MW244.37 g/mol
LogP3.60
Rot. Bonds8

About 3-tert-butyl-3-hydroxydecanoic acid

3-tert-butyl-3-hydroxydecanoic acid (PubChem CID 154176683) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 3-tert-butyl-3-hydroxydecanoic acid.

Molecular Properties

Compound Name3-tert-butyl-3-hydroxydecanoic acid
PubChem CID154176683
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name3-tert-butyl-3-hydroxydecanoic acid
SMILESCCCCCCCC(O)(CC(=O)O)C(C)(C)C
InChIInChI=1S/C14H28O3/c1-5-6-7-8-9-10-14(17,11-12(15)16)13(2,3)4/h17H,5-11H2,1-4H3,(H,15,16)
InChIKeyLPDZBLDPSNUJNC-UHFFFAOYSA-N
XLogP3.60
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-tert-butyl-3-hydroxydecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butyl-3,4-dihydroxy-3-(hydroxymethyl)icosanoic acid
CID 174525502
3,3-dimethylnonanoic acid
CID 5282685
3,3-dihydroxyoctanoic acid
CID 142784803
3,3-dimethyloctanoic acid
CID 20501381
3,3-di(tridecyl)pentanedioic acid
CID 141126442
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
2-hydroxy-2-icosylbutanedioic acid
CID 18762279
2,2-di(pentadecyl)butanedioic acid
CID 88541002
2-hydroxy-3-pentyldodecane-1,2,3-tricarboxylic acid
CID 87241383
2,2-dioctylbutanedioic acid;sulfane
CID 174869695
7-hydroxy-7-methyldodecanoic acid
CID 21420590

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-hydroxydecanoic acid?
The IUPAC name of 3-tert-butyl-3-hydroxydecanoic acid (CID 154176683) is 3-tert-butyl-3-hydroxydecanoic acid.
What is the SMILES notation for 3-tert-butyl-3-hydroxydecanoic acid?
The canonical SMILES for 3-tert-butyl-3-hydroxydecanoic acid is CCCCCCCC(O)(CC(=O)O)C(C)(C)C.
What is the InChIKey of 3-tert-butyl-3-hydroxydecanoic acid?
The InChIKey is LPDZBLDPSNUJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-5-6-7-8-9-10-14(17,11-12(15)16)13(2,3)4/h17H,5-11H2,1-4H3,(H,15,16).
What are the key properties of 3-tert-butyl-3-hydroxydecanoic acid?
3-tert-butyl-3-hydroxydecanoic acid has a molecular weight of 244.37 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-hydroxydecanoic acid is sourced from PubChem (CID 154176683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).