3-(2,4,4-trimethylpentan-2-yloxy)pyridine

C13H21NO — CID 145496558

IUPAC3-(2,4,4-trimethylpentan-2-yloxy)pyridine
SMILESCC(C)(C)CC(C)(C)Oc1cccnc1
InChIInChI=1S/C13H21NO/c1-12(2,3)10-13(4,5)15-11-7-6-8-14-9-11/h6-9H,10H2,1-5H3
InChIKeyYYDGFOPEAHKFOQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.68
Rot. Bonds3

About 3-(2,4,4-trimethylpentan-2-yloxy)pyridine

3-(2,4,4-trimethylpentan-2-yloxy)pyridine (PubChem CID 145496558) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(2,4,4-trimethylpentan-2-yloxy)pyridine.

Molecular Properties

Compound Name3-(2,4,4-trimethylpentan-2-yloxy)pyridine
PubChem CID145496558
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-(2,4,4-trimethylpentan-2-yloxy)pyridine
SMILESCC(C)(C)CC(C)(C)Oc1cccnc1
InChIInChI=1S/C13H21NO/c1-12(2,3)10-13(4,5)15-11-7-6-8-14-9-11/h6-9H,10H2,1-5H3
InChIKeyYYDGFOPEAHKFOQ-UHFFFAOYSA-N
XLogP3.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromopropan-2-yloxy)pyridine
CID 174735285
3-[2-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-2-yl]oxypyridine
CID 146506619
2-pyridin-3-yloxy-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 110487966
boric acid;2,3-dimethyl-3-pyridin-3-yloxybutan-2-ol
CID 174682571
3-(3-methoxy-3-methylbutoxy)pyridine
CID 103037636
3,3-dimethyl-1-pyridin-3-yloxybutan-2-amine
CID 117242309
pyridin-3-yl hypochlorite
CID 91164948
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
2,4,4-trimethyl-N-(pyridin-3-ylmethyl)pentan-2-amine;hydrochloride
CID 6463081
3-[7-(2-methoxy-2-methylpropoxy)heptoxy]pyridine
CID 173395801
tert-butyl-dimethyl-(4-pyridin-3-yloxybutoxy)silane
CID 15887443
ethane;2-methoxypyridine;3-methoxypyridine
CID 142284614

Frequently Asked Questions

What is the IUPAC name of 3-(2,4,4-trimethylpentan-2-yloxy)pyridine?
The IUPAC name of 3-(2,4,4-trimethylpentan-2-yloxy)pyridine (CID 145496558) is 3-(2,4,4-trimethylpentan-2-yloxy)pyridine.
What is the SMILES notation for 3-(2,4,4-trimethylpentan-2-yloxy)pyridine?
The canonical SMILES for 3-(2,4,4-trimethylpentan-2-yloxy)pyridine is CC(C)(C)CC(C)(C)Oc1cccnc1.
What is the InChIKey of 3-(2,4,4-trimethylpentan-2-yloxy)pyridine?
The InChIKey is YYDGFOPEAHKFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-12(2,3)10-13(4,5)15-11-7-6-8-14-9-11/h6-9H,10H2,1-5H3.
What are the key properties of 3-(2,4,4-trimethylpentan-2-yloxy)pyridine?
3-(2,4,4-trimethylpentan-2-yloxy)pyridine has a molecular weight of 207.32 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,4-trimethylpentan-2-yloxy)pyridine is sourced from PubChem (CID 145496558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).