2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-propan-2-yloxypyridine

C14H25NO5 — CID 118647854

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-propan-2-yloxypyridine
SMILESCC(C)Oc1ccccn1.OCCOCCOCCO
InChIInChI=1S/C8H11NO.C6H14O4/c1-7(2)10-8-5-3-4-6-9-8;7-1-3-9-5-6-10-4-2-8/h3-7H,1-2H3;7-8H,1-6H2
InChIKeyMWLWNHMUIYRFIY-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.87
Rot. Bonds9

About 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-propan-2-yloxypyridine

2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-propan-2-yloxypyridine (PubChem CID 118647854) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-propan-2-yloxypyridine.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-propan-2-yloxypyridine
PubChem CID118647854
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-propan-2-yloxypyridine
SMILESCC(C)Oc1ccccn1.OCCOCCOCCO
InChIInChI=1S/C8H11NO.C6H14O4/c1-7(2)10-8-5-3-4-6-9-8;7-1-3-9-5-6-10-4-2-8/h3-7H,1-2H3;7-8H,1-6H2
InChIKeyMWLWNHMUIYRFIY-UHFFFAOYSA-N
XLogP0.87
TPSA81.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-propan-2-yloxyphenoxy)ethoxy]pyridine
CID 15764663
(2R)-2-pyridin-2-yloxypropan-1-amine
CID 51684255
2-pentan-3-yloxypyridine
CID 45091035
2-[5-methyl-2-(1-pyridin-2-yloxyethyl)-1,3-oxazol-4-yl]ethanol
CID 67845522
2-[2-(1-pyridin-2-ylpropan-2-ylamino)ethoxy]ethanol
CID 137425890
7-pyridin-2-yloxyheptan-1-ol
CID 22675453
8-pyridin-2-yloxyoctan-1-ol
CID 22675460
4,4,4-trifluoro-3-pyridin-2-yloxybutan-1-ol
CID 177219210
2-pyridin-2-yloxypropanal
CID 173353438
2-(1-phenoxypropan-2-yloxy)pyridine
CID 67893782
cumene;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 123989591
(1S)-1-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethanol
CID 78931201

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-propan-2-yloxypyridine?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-propan-2-yloxypyridine (CID 118647854) is 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-propan-2-yloxypyridine.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-propan-2-yloxypyridine?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-propan-2-yloxypyridine is CC(C)Oc1ccccn1.OCCOCCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-propan-2-yloxypyridine?
The InChIKey is MWLWNHMUIYRFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C6H14O4/c1-7(2)10-8-5-3-4-6-9-8;7-1-3-9-5-6-10-4-2-8/h3-7H,1-2H3;7-8H,1-6H2.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-propan-2-yloxypyridine?
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-propan-2-yloxypyridine has a molecular weight of 287.36 g/mol, XLogP of 0.87, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-propan-2-yloxypyridine is sourced from PubChem (CID 118647854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).