(2R)-2-ethyl-3,3-dimethylbutanoic acid

C8H16O2 — CID 87414884

IUPAC(2R)-2-ethyl-3,3-dimethylbutanoic acid
SMILESCC[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C8H16O2/c1-5-6(7(9)10)8(2,3)4/h6H,5H2,1-4H3,(H,9,10)/t6-/m0/s1
InChIKeySGPSHLUFQAXIAO-LURJTMIESA-N
MW144.21 g/mol
LogP2.14
Rot. Bonds2

About (2R)-2-ethyl-3,3-dimethylbutanoic acid

(2R)-2-ethyl-3,3-dimethylbutanoic acid (PubChem CID 87414884) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (2R)-2-ethyl-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-ethyl-3,3-dimethylbutanoic acid
PubChem CID87414884
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(2R)-2-ethyl-3,3-dimethylbutanoic acid
SMILESCC[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C8H16O2/c1-5-6(7(9)10)8(2,3)4/h6H,5H2,1-4H3,(H,9,10)/t6-/m0/s1
InChIKeySGPSHLUFQAXIAO-LURJTMIESA-N
XLogP2.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-3-hydroxy-3,4-dimethylpentanoic acid
CID 62487077
2-tert-butyl-8-ethylnonanedioic acid
CID 175160152
2-(trifluoromethyl)butanoic acid;hydrochloride
CID 175076034
3-cyano-2-ethyl-3-hydroxybutanoic acid
CID 174847325
3-ethyl-2,2,5-trimethylheptan-4-one
CID 12547655
3,3-dimethyl-2-(trimethylsilylmethyl)butanoic acid
CID 57231506
2-tert-butyl-4,4,4-trifluorobutanoic acid
CID 83136000
2-ethyl-3,4-dihydroxy-3-(hydroxymethyl)butanoic acid
CID 20669294
2-(2,2-difluoroethyl)-3,3-dimethylbutanoic acid
CID 83137201
2-tert-butyl-5-hydroxyhexanoic acid
CID 22275994
2-ethyl-3,3-dimethyltetradecanoic acid
CID 175257487
2-ethyl-3,3-dimethylpentanoic acid;2-ethyl-2,3,3-trimethylpentanoic acid
CID 158949436

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-ethyl-3,3-dimethylbutanoic acid (CID 87414884) is (2R)-2-ethyl-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-ethyl-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-ethyl-3,3-dimethylbutanoic acid is CC[C@@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2R)-2-ethyl-3,3-dimethylbutanoic acid?
The InChIKey is SGPSHLUFQAXIAO-LURJTMIESA-N. The full InChI is InChI=1S/C8H16O2/c1-5-6(7(9)10)8(2,3)4/h6H,5H2,1-4H3,(H,9,10)/t6-/m0/s1.
What are the key properties of (2R)-2-ethyl-3,3-dimethylbutanoic acid?
(2R)-2-ethyl-3,3-dimethylbutanoic acid has a molecular weight of 144.21 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-3,3-dimethylbutanoic acid is sourced from PubChem (CID 87414884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).