4-(2,2-dimethylpropoxy)-2-methylpyridine

C11H17NO — CID 135279378

IUPAC4-(2,2-dimethylpropoxy)-2-methylpyridine
SMILESCc1cc(OCC(C)(C)C)ccn1
InChIInChI=1S/C11H17NO/c1-9-7-10(5-6-12-9)13-8-11(2,3)4/h5-7H,8H2,1-4H3
InChIKeyKCMHTRRZEHSUDO-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.81
Rot. Bonds2

About 4-(2,2-dimethylpropoxy)-2-methylpyridine

4-(2,2-dimethylpropoxy)-2-methylpyridine (PubChem CID 135279378) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-(2,2-dimethylpropoxy)-2-methylpyridine.

Molecular Properties

Compound Name4-(2,2-dimethylpropoxy)-2-methylpyridine
PubChem CID135279378
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-(2,2-dimethylpropoxy)-2-methylpyridine
SMILESCc1cc(OCC(C)(C)C)ccn1
InChIInChI=1S/C11H17NO/c1-9-7-10(5-6-12-9)13-8-11(2,3)4/h5-7H,8H2,1-4H3
InChIKeyKCMHTRRZEHSUDO-UHFFFAOYSA-N
XLogP2.81
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropoxy)-2-methylpyridine?
The IUPAC name of 4-(2,2-dimethylpropoxy)-2-methylpyridine (CID 135279378) is 4-(2,2-dimethylpropoxy)-2-methylpyridine.
What is the SMILES notation for 4-(2,2-dimethylpropoxy)-2-methylpyridine?
The canonical SMILES for 4-(2,2-dimethylpropoxy)-2-methylpyridine is Cc1cc(OCC(C)(C)C)ccn1.
What is the InChIKey of 4-(2,2-dimethylpropoxy)-2-methylpyridine?
The InChIKey is KCMHTRRZEHSUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9-7-10(5-6-12-9)13-8-11(2,3)4/h5-7H,8H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropoxy)-2-methylpyridine?
4-(2,2-dimethylpropoxy)-2-methylpyridine has a molecular weight of 179.26 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropoxy)-2-methylpyridine is sourced from PubChem (CID 135279378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).