2,2-dimethylbutanoic acid;2-methoxy-1,6-dimethyl-2H-pyridine

C14H25NO3 — CID 171538349

IUPAC2,2-dimethylbutanoic acid;2-methoxy-1,6-dimethyl-2H-pyridine
SMILESCCC(C)(C)C(=O)O.COC1C=CC=C(C)N1C
InChIInChI=1S/C8H13NO.C6H12O2/c1-7-5-4-6-8(10-3)9(7)2;1-4-6(2,3)5(7)8/h4-6,8H,1-3H3;4H2,1-3H3,(H,7,8)
InChIKeyOUFXXPYGKVVOKM-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.87
Rot. Bonds3

About 2,2-dimethylbutanoic acid;2-methoxy-1,6-dimethyl-2H-pyridine

2,2-dimethylbutanoic acid;2-methoxy-1,6-dimethyl-2H-pyridine (PubChem CID 171538349) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2,2-dimethylbutanoic acid;2-methoxy-1,6-dimethyl-2H-pyridine.

Molecular Properties

Compound Name2,2-dimethylbutanoic acid;2-methoxy-1,6-dimethyl-2H-pyridine
PubChem CID171538349
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2,2-dimethylbutanoic acid;2-methoxy-1,6-dimethyl-2H-pyridine
SMILESCCC(C)(C)C(=O)O.COC1C=CC=C(C)N1C
InChIInChI=1S/C8H13NO.C6H12O2/c1-7-5-4-6-8(10-3)9(7)2;1-4-6(2,3)5(7)8/h4-6,8H,1-3H3;4H2,1-3H3,(H,7,8)
InChIKeyOUFXXPYGKVVOKM-UHFFFAOYSA-N
XLogP2.87
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutanoic acid;2-methoxy-1,6-dimethyl-2H-pyridine?
The IUPAC name of 2,2-dimethylbutanoic acid;2-methoxy-1,6-dimethyl-2H-pyridine (CID 171538349) is 2,2-dimethylbutanoic acid;2-methoxy-1,6-dimethyl-2H-pyridine.
What is the SMILES notation for 2,2-dimethylbutanoic acid;2-methoxy-1,6-dimethyl-2H-pyridine?
The canonical SMILES for 2,2-dimethylbutanoic acid;2-methoxy-1,6-dimethyl-2H-pyridine is CCC(C)(C)C(=O)O.COC1C=CC=C(C)N1C.
What is the InChIKey of 2,2-dimethylbutanoic acid;2-methoxy-1,6-dimethyl-2H-pyridine?
The InChIKey is OUFXXPYGKVVOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.C6H12O2/c1-7-5-4-6-8(10-3)9(7)2;1-4-6(2,3)5(7)8/h4-6,8H,1-3H3;4H2,1-3H3,(H,7,8).
What are the key properties of 2,2-dimethylbutanoic acid;2-methoxy-1,6-dimethyl-2H-pyridine?
2,2-dimethylbutanoic acid;2-methoxy-1,6-dimethyl-2H-pyridine has a molecular weight of 255.36 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutanoic acid;2-methoxy-1,6-dimethyl-2H-pyridine is sourced from PubChem (CID 171538349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).