2-tert-butyl-2-ethyl-4,4-dimethylpentanoic acid

C13H26O2 — CID 123370825

IUPAC2-tert-butyl-2-ethyl-4,4-dimethylpentanoic acid
SMILESCCC(CC(C)(C)C)(C(=O)O)C(C)(C)C
InChIInChI=1S/C13H26O2/c1-8-13(10(14)15,12(5,6)7)9-11(2,3)4/h8-9H2,1-7H3,(H,14,15)
InChIKeyGCZAYFZHMSQOQF-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.95
Rot. Bonds3

About 2-tert-butyl-2-ethyl-4,4-dimethylpentanoic acid

2-tert-butyl-2-ethyl-4,4-dimethylpentanoic acid (PubChem CID 123370825) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-tert-butyl-2-ethyl-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-tert-butyl-2-ethyl-4,4-dimethylpentanoic acid
PubChem CID123370825
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name2-tert-butyl-2-ethyl-4,4-dimethylpentanoic acid
SMILESCCC(CC(C)(C)C)(C(=O)O)C(C)(C)C
InChIInChI=1S/C13H26O2/c1-8-13(10(14)15,12(5,6)7)9-11(2,3)4/h8-9H2,1-7H3,(H,14,15)
InChIKeyGCZAYFZHMSQOQF-UHFFFAOYSA-N
XLogP3.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,3,3-tetraethylbutanedioic acid
CID 23424098
3,3-diethyl-4,4-dimethylpentan-2-one;ethane
CID 142252280
2-tert-butyl-2,5-diethylhexanedioic acid
CID 174961257
2-(aminomethyl)-2-ethyl-3-fluoro-3-methylbutanoic acid
CID 105436909
2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid
CID 89048903
2,2-diethyl-3,3-dimethyl-4-phosphonobutanoic acid
CID 173238819
2,2,3-triethyl-3-methoxycarbonylpentanoic acid
CID 171384079
2-tert-butyl-3-ethyl-3-heptyl-2-methylbutanedioic acid
CID 175458256
2-[bis(2-carboxybutan-2-yl)amino]-2-methylbutanoic acid
CID 88755093
2-ethyl-2-hydroxy-3,3-dimethylbutanoic acid
CID 83694809
2,2-diethyl-3-methyl-3-phenylbutanoic acid
CID 68577866
2-(dipropylamino)-2-methylbutanoic acid
CID 78969481

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-ethyl-4,4-dimethylpentanoic acid?
The IUPAC name of 2-tert-butyl-2-ethyl-4,4-dimethylpentanoic acid (CID 123370825) is 2-tert-butyl-2-ethyl-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-tert-butyl-2-ethyl-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-tert-butyl-2-ethyl-4,4-dimethylpentanoic acid is CCC(CC(C)(C)C)(C(=O)O)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-2-ethyl-4,4-dimethylpentanoic acid?
The InChIKey is GCZAYFZHMSQOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-8-13(10(14)15,12(5,6)7)9-11(2,3)4/h8-9H2,1-7H3,(H,14,15).
What are the key properties of 2-tert-butyl-2-ethyl-4,4-dimethylpentanoic acid?
2-tert-butyl-2-ethyl-4,4-dimethylpentanoic acid has a molecular weight of 214.35 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-ethyl-4,4-dimethylpentanoic acid is sourced from PubChem (CID 123370825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).