butan-1-olate;bis(tetramethylazanium);hydroxide

C12H34N2O2 — CID 141199293

IUPACbutan-1-olate;bis(tetramethylazanium);hydroxide
SMILESCCCC[O-].C[N+](C)(C)C.C[N+](C)(C)C.[OH-]
InChIInChI=1S/2C4H12N.C4H9O.H2O/c2*1-5(2,3)4;1-2-3-4-5;/h2*1-4H3;2-4H2,1H3;1H2/q2*+1;-1;/p-1
InChIKeyIOYUKTBXSKRRSY-UHFFFAOYSA-M
MW238.42 g/mol
LogP0.61
Rot. Bonds2

About butan-1-olate;bis(tetramethylazanium);hydroxide

butan-1-olate;bis(tetramethylazanium);hydroxide (PubChem CID 141199293) has the molecular formula C12H34N2O2 and a molecular weight of 238.42 g/mol. Its IUPAC name is butan-1-olate;bis(tetramethylazanium);hydroxide.

Molecular Properties

Compound Namebutan-1-olate;bis(tetramethylazanium);hydroxide
PubChem CID141199293
Molecular FormulaC12H34N2O2
Molecular Weight238.42 g/mol
Exact Mass238.26
IUPAC Namebutan-1-olate;bis(tetramethylazanium);hydroxide
SMILESCCCC[O-].C[N+](C)(C)C.C[N+](C)(C)C.[OH-]
InChIInChI=1S/2C4H12N.C4H9O.H2O/c2*1-5(2,3)4;1-2-3-4-5;/h2*1-4H3;2-4H2,1H3;1H2/q2*+1;-1;/p-1
InChIKeyIOYUKTBXSKRRSY-UHFFFAOYSA-M
XLogP0.61
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tris(butan-1-olate);bis(ethylaluminum(2+))
CID 158233677
CID 22242269
CID 22242269
tetrakis(butan-1-olate);vanadium(4+)
CID 14438320
tetrakis(butan-1-olate);germanium(4+)
CID 91868535
tetrakis(butan-1-olate);hafnium(4+)
CID 10140113
trilithium;tris(butan-1-olate)
CID 155673085
tris(butan-1-olate);niobium(3+)
CID 161059025
tris(butan-1-olate);yttrium(3+)
CID 11536856
butan-1-olate;rubidium(1+)
CID 23701266
strontium;hexakis(butan-1-olate);titanium(4+)
CID 161415283
butan-1-olate;hydride;zirconium(4+)
CID 22376038
bis(butan-1-olate);methanolate;titanium(4+)
CID 14574622

Frequently Asked Questions

What is the IUPAC name of butan-1-olate;bis(tetramethylazanium);hydroxide?
The IUPAC name of butan-1-olate;bis(tetramethylazanium);hydroxide (CID 141199293) is butan-1-olate;bis(tetramethylazanium);hydroxide.
What is the SMILES notation for butan-1-olate;bis(tetramethylazanium);hydroxide?
The canonical SMILES for butan-1-olate;bis(tetramethylazanium);hydroxide is CCCC[O-].C[N+](C)(C)C.C[N+](C)(C)C.[OH-].
What is the InChIKey of butan-1-olate;bis(tetramethylazanium);hydroxide?
The InChIKey is IOYUKTBXSKRRSY-UHFFFAOYSA-M. The full InChI is InChI=1S/2C4H12N.C4H9O.H2O/c2*1-5(2,3)4;1-2-3-4-5;/h2*1-4H3;2-4H2,1H3;1H2/q2*+1;-1;/p-1.
What are the key properties of butan-1-olate;bis(tetramethylazanium);hydroxide?
butan-1-olate;bis(tetramethylazanium);hydroxide has a molecular weight of 238.42 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-olate;bis(tetramethylazanium);hydroxide is sourced from PubChem (CID 141199293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).