1,4-diethoxybutane;tetramethylazanium

C12H30NO2+ — CID 159107169

IUPAC1,4-diethoxybutane;tetramethylazanium
SMILESCCOCCCCOCC.C[N+](C)(C)C
InChIInChI=1S/C8H18O2.C4H12N/c1-3-9-7-5-6-8-10-4-2;1-5(2,3)4/h3-8H2,1-2H3;1-4H3/q;+1
InChIKeyKEAMFTPQHNLLFH-UHFFFAOYSA-N
MW220.38 g/mol
LogP2.16
Rot. Bonds7

About 1,4-diethoxybutane;tetramethylazanium

1,4-diethoxybutane;tetramethylazanium (PubChem CID 159107169) has the molecular formula C12H30NO2+ and a molecular weight of 220.38 g/mol. Its IUPAC name is 1,4-diethoxybutane;tetramethylazanium.

Molecular Properties

Compound Name1,4-diethoxybutane;tetramethylazanium
PubChem CID159107169
Molecular FormulaC12H30NO2+
Molecular Weight220.38 g/mol
Exact Mass220.23
IUPAC Name1,4-diethoxybutane;tetramethylazanium
SMILESCCOCCCCOCC.C[N+](C)(C)C
InChIInChI=1S/C8H18O2.C4H12N/c1-3-9-7-5-6-8-10-4-2;1-5(2,3)4/h3-8H2,1-2H3;1-4H3/q;+1
InChIKeyKEAMFTPQHNLLFH-UHFFFAOYSA-N
XLogP2.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-diethoxybutane;tetramethylazanium?
The IUPAC name of 1,4-diethoxybutane;tetramethylazanium (CID 159107169) is 1,4-diethoxybutane;tetramethylazanium.
What is the SMILES notation for 1,4-diethoxybutane;tetramethylazanium?
The canonical SMILES for 1,4-diethoxybutane;tetramethylazanium is CCOCCCCOCC.C[N+](C)(C)C.
What is the InChIKey of 1,4-diethoxybutane;tetramethylazanium?
The InChIKey is KEAMFTPQHNLLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2.C4H12N/c1-3-9-7-5-6-8-10-4-2;1-5(2,3)4/h3-8H2,1-2H3;1-4H3/q;+1.
What are the key properties of 1,4-diethoxybutane;tetramethylazanium?
1,4-diethoxybutane;tetramethylazanium has a molecular weight of 220.38 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethoxybutane;tetramethylazanium is sourced from PubChem (CID 159107169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).