2,2-ditert-butyl-3,3-dimethylbutanoic acid

C14H28O2 — CID 24975659

IUPAC2,2-ditert-butyl-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(C(=O)O)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28O2/c1-11(2,3)14(10(15)16,12(4,5)6)13(7,8)9/h1-9H3,(H,15,16)
InChIKeyMHFBRDZRIYWESJ-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.20
Rot. Bonds1

About 2,2-ditert-butyl-3,3-dimethylbutanoic acid

2,2-ditert-butyl-3,3-dimethylbutanoic acid (PubChem CID 24975659) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2,2-ditert-butyl-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2,2-ditert-butyl-3,3-dimethylbutanoic acid
PubChem CID24975659
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2,2-ditert-butyl-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(C(=O)O)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28O2/c1-11(2,3)14(10(15)16,12(4,5)6)13(7,8)9/h1-9H3,(H,15,16)
InChIKeyMHFBRDZRIYWESJ-UHFFFAOYSA-N
XLogP4.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2-ditert-butyl-3,3-dimethylbutanoic 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

2,2-dimethylpropanoic acid
CID 87781698
2-bromo-2-hydroxypropanoic acid
CID 88707429
2,2-dimethylpropanoic acid;lanthanum
CID 160817860
2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
CID 71309334
tetrakis(2,2-dimethylpropanoic acid);molybdenum
CID 171378141
(2S,3S)-2,3-ditert-butyl-2,3-dihydroxybutanedioic acid
CID 151227491
2,2-dimethylpropanoic acid;rhenium;chloride
CID 25015528
2,2-dimethylpropanedioic acid;silver
CID 174269885
2,2-dimethylpropanedioic acid;hydrochloride
CID 87713726
2-bromo-2-methylpropanoic acid
CID 159388254
magnesium;2,2-dimethylpropanoic acid;hydride
CID 173170298
3-hydroxy-2,2,3,4,4-pentamethylpentanoic acid
CID 105443227

Frequently Asked Questions

What is the IUPAC name of 2,2-ditert-butyl-3,3-dimethylbutanoic acid?
The IUPAC name of 2,2-ditert-butyl-3,3-dimethylbutanoic acid (CID 24975659) is 2,2-ditert-butyl-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2,2-ditert-butyl-3,3-dimethylbutanoic acid?
The canonical SMILES for 2,2-ditert-butyl-3,3-dimethylbutanoic acid is CC(C)(C)C(C(=O)O)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2,2-ditert-butyl-3,3-dimethylbutanoic acid?
The InChIKey is MHFBRDZRIYWESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-11(2,3)14(10(15)16,12(4,5)6)13(7,8)9/h1-9H3,(H,15,16).
What are the key properties of 2,2-ditert-butyl-3,3-dimethylbutanoic acid?
2,2-ditert-butyl-3,3-dimethylbutanoic acid has a molecular weight of 228.38 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-ditert-butyl-3,3-dimethylbutanoic acid is sourced from PubChem (CID 24975659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).