2-butoxyethanol;molecular nitrogen

C6H14N2O2 — CID 86737982

IUPAC2-butoxyethanol;molecular nitrogen
SMILESCCCCOCCO.N#N
InChIInChI=1S/C6H14O2.N2/c1-2-3-5-8-6-4-7;1-2/h7H,2-6H2,1H3;
InChIKeyHGDWNTSKWORHDI-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.83
Rot. Bonds5

About 2-butoxyethanol;molecular nitrogen

2-butoxyethanol;molecular nitrogen (PubChem CID 86737982) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-butoxyethanol;molecular nitrogen.

Molecular Properties

Compound Name2-butoxyethanol;molecular nitrogen
PubChem CID86737982
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name2-butoxyethanol;molecular nitrogen
SMILESCCCCOCCO.N#N
InChIInChI=1S/C6H14O2.N2/c1-2-3-5-8-6-4-7;1-2/h7H,2-6H2,1H3;
InChIKeyHGDWNTSKWORHDI-UHFFFAOYSA-N
XLogP0.83
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', '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-[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
2-dodecoxyethanol
CID 24750

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethanol;molecular nitrogen?
The IUPAC name of 2-butoxyethanol;molecular nitrogen (CID 86737982) is 2-butoxyethanol;molecular nitrogen.
What is the SMILES notation for 2-butoxyethanol;molecular nitrogen?
The canonical SMILES for 2-butoxyethanol;molecular nitrogen is CCCCOCCO.N#N.
What is the InChIKey of 2-butoxyethanol;molecular nitrogen?
The InChIKey is HGDWNTSKWORHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.N2/c1-2-3-5-8-6-4-7;1-2/h7H,2-6H2,1H3;.
What are the key properties of 2-butoxyethanol;molecular nitrogen?
2-butoxyethanol;molecular nitrogen has a molecular weight of 146.19 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethanol;molecular nitrogen is sourced from PubChem (CID 86737982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).