butan-1-olate;tetramethylazanium

C8H21NO — CID 20562223

IUPACbutan-1-olate;tetramethylazanium
SMILESCCCC[O-].C[N+](C)(C)C
InChIInChI=1S/C4H12N.C4H9O/c1-5(2,3)4;1-2-3-4-5/h1-4H3;2-4H2,1H3/q+1;-1
InChIKeyHBCPZVPMNYHGHN-UHFFFAOYSA-N
MW147.26 g/mol
LogP0.47
Rot. Bonds2

About butan-1-olate;tetramethylazanium

butan-1-olate;tetramethylazanium (PubChem CID 20562223) has the molecular formula C8H21NO and a molecular weight of 147.26 g/mol. Its IUPAC name is butan-1-olate;tetramethylazanium.

Molecular Properties

Compound Namebutan-1-olate;tetramethylazanium
PubChem CID20562223
Molecular FormulaC8H21NO
Molecular Weight147.26 g/mol
Exact Mass147.16
IUPAC Namebutan-1-olate;tetramethylazanium
SMILESCCCC[O-].C[N+](C)(C)C
InChIInChI=1S/C4H12N.C4H9O/c1-5(2,3)4;1-2-3-4-5/h1-4H3;2-4H2,1H3/q+1;-1
InChIKeyHBCPZVPMNYHGHN-UHFFFAOYSA-N
XLogP0.47
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.26
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butan-1-olate;tetramethylazanium?
The IUPAC name of butan-1-olate;tetramethylazanium (CID 20562223) is butan-1-olate;tetramethylazanium.
What is the SMILES notation for butan-1-olate;tetramethylazanium?
The canonical SMILES for butan-1-olate;tetramethylazanium is CCCC[O-].C[N+](C)(C)C.
What is the InChIKey of butan-1-olate;tetramethylazanium?
The InChIKey is HBCPZVPMNYHGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N.C4H9O/c1-5(2,3)4;1-2-3-4-5/h1-4H3;2-4H2,1H3/q+1;-1.
What are the key properties of butan-1-olate;tetramethylazanium?
butan-1-olate;tetramethylazanium has a molecular weight of 147.26 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-olate;tetramethylazanium is sourced from PubChem (CID 20562223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).