2,2-dimethylbutanoic acid;methane

C8H20O2 — CID 159782886

IUPAC2,2-dimethylbutanoic acid;methane
SMILESC.C.CCC(C)(C)C(=O)O
InChIInChI=1S/C6H12O2.2CH4/c1-4-6(2,3)5(7)8;;/h4H2,1-3H3,(H,7,8);2*1H4
InChIKeyNHOWKZZXXSSSNK-UHFFFAOYSA-N
MW148.25 g/mol
LogP2.78
Rot. Bonds2

About 2,2-dimethylbutanoic acid;methane

2,2-dimethylbutanoic acid;methane (PubChem CID 159782886) has the molecular formula C8H20O2 and a molecular weight of 148.25 g/mol. Its IUPAC name is 2,2-dimethylbutanoic acid;methane.

Molecular Properties

Compound Name2,2-dimethylbutanoic acid;methane
PubChem CID159782886
Molecular FormulaC8H20O2
Molecular Weight148.25 g/mol
Exact Mass148.15
IUPAC Name2,2-dimethylbutanoic acid;methane
SMILESC.C.CCC(C)(C)C(=O)O
InChIInChI=1S/C6H12O2.2CH4/c1-4-6(2,3)5(7)8;;/h4H2,1-3H3,(H,7,8);2*1H4
InChIKeyNHOWKZZXXSSSNK-UHFFFAOYSA-N
XLogP2.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

tert-Butylacetic acid
CID 14057
2,2-Dimethylbutanoic acid
CID 11684
2-Ethyl-2-methylbutyric acid
CID 29846
2,2-Diethylbutanoic acid
CID 219526
2,4,4-Trimethylpentanoic acid
CID 95306
2,2,4,4-Tetramethylpentanoic acid
CID 18699
2,2,3,3-Tetramethylbutanoic acid
CID 246581
3,3-Dimethyl-2-(propan-2-yl)butanoic acid
CID 594058
2,2,3-Trimethylbutyric acid
CID 639797
2,3,3-Trimethylbutanoic acid
CID 2778099
Valeric acid, 2,2,4-trimethyl-
CID 3013951
2-Ethyl-3,3-dimethylbutanoic acid
CID 228083

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutanoic acid;methane?
The IUPAC name of 2,2-dimethylbutanoic acid;methane (CID 159782886) is 2,2-dimethylbutanoic acid;methane.
What is the SMILES notation for 2,2-dimethylbutanoic acid;methane?
The canonical SMILES for 2,2-dimethylbutanoic acid;methane is C.C.CCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethylbutanoic acid;methane?
The InChIKey is NHOWKZZXXSSSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.2CH4/c1-4-6(2,3)5(7)8;;/h4H2,1-3H3,(H,7,8);2*1H4.
What are the key properties of 2,2-dimethylbutanoic acid;methane?
2,2-dimethylbutanoic acid;methane has a molecular weight of 148.25 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutanoic acid;methane is sourced from PubChem (CID 159782886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).