2-butoxyethanol;pyridine

C11H19NO2 — CID 68817670

IUPAC2-butoxyethanol;pyridine
SMILESCCCCOCCO.c1ccncc1
InChIInChI=1S/C6H14O2.C5H5N/c1-2-3-5-8-6-4-7;1-2-4-6-5-3-1/h7H,2-6H2,1H3;1-5H
InChIKeyVXYSCOXMHXDQJS-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.88
Rot. Bonds5

About 2-butoxyethanol;pyridine

2-butoxyethanol;pyridine (PubChem CID 68817670) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-butoxyethanol;pyridine.

Molecular Properties

Compound Name2-butoxyethanol;pyridine
PubChem CID68817670
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-butoxyethanol;pyridine
SMILESCCCCOCCO.c1ccncc1
InChIInChI=1S/C6H14O2.C5H5N/c1-2-3-5-8-6-4-7;1-2-4-6-5-3-1/h7H,2-6H2,1H3;1-5H
InChIKeyVXYSCOXMHXDQJS-UHFFFAOYSA-N
XLogP1.88
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-butoxyethanol
CID 8133
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol
CID 18459544
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174801063
2-butoxyethanol;molecular nitrogen
CID 86737982
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175100397
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175351747
2-(2-hydroxyethoxy)ethanol;pentane
CID 157305945
1-butoxybutane;1-ethoxy-2-(2-ethoxyethoxy)ethane;2-(2-hydroxyethoxy)ethanol
CID 118657939
1-butoxybutane;1,2-dimethoxyethane;2-(2-hydroxyethoxy)ethanol
CID 87464396
sodium;2-butoxyethanol;perchlorate
CID 160950535
2-tetradecoxyethanol
CID 16491
2-heptoxyethanol
CID 23889

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethanol;pyridine?
The IUPAC name of 2-butoxyethanol;pyridine (CID 68817670) is 2-butoxyethanol;pyridine.
What is the SMILES notation for 2-butoxyethanol;pyridine?
The canonical SMILES for 2-butoxyethanol;pyridine is CCCCOCCO.c1ccncc1.
What is the InChIKey of 2-butoxyethanol;pyridine?
The InChIKey is VXYSCOXMHXDQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.C5H5N/c1-2-3-5-8-6-4-7;1-2-4-6-5-3-1/h7H,2-6H2,1H3;1-5H.
What are the key properties of 2-butoxyethanol;pyridine?
2-butoxyethanol;pyridine has a molecular weight of 197.28 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethanol;pyridine is sourced from PubChem (CID 68817670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).