butan-1-olate;tetrabutylphosphanium

C20H45OP — CID 19766644

IUPACbutan-1-olate;tetrabutylphosphanium
SMILESCCCC[O-].CCCC[P+](CCCC)(CCCC)CCCC
InChIInChI=1S/C16H36P.C4H9O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-3-4-5/h5-16H2,1-4H3;2-4H2,1H3/q+1;-1
InChIKeyNXQUBDVIWJSNHJ-UHFFFAOYSA-N
MW332.55 g/mol
LogP6.35
Rot. Bonds14

About butan-1-olate;tetrabutylphosphanium

butan-1-olate;tetrabutylphosphanium (PubChem CID 19766644) has the molecular formula C20H45OP and a molecular weight of 332.55 g/mol. Its IUPAC name is butan-1-olate;tetrabutylphosphanium.

Molecular Properties

Compound Namebutan-1-olate;tetrabutylphosphanium
PubChem CID19766644
Molecular FormulaC20H45OP
Molecular Weight332.55 g/mol
Exact Mass332.32
IUPAC Namebutan-1-olate;tetrabutylphosphanium
SMILESCCCC[O-].CCCC[P+](CCCC)(CCCC)CCCC
InChIInChI=1S/C16H36P.C4H9O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-3-4-5/h5-16H2,1-4H3;2-4H2,1H3/q+1;-1
InChIKeyNXQUBDVIWJSNHJ-UHFFFAOYSA-N
XLogP6.35
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.55
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tetrabutylphosphanium;tin(4+)
CID 160650774
tributyl(9-tributylphosphaniumylnonyl)phosphanium
CID 59839708
stibane;tetrabutylphosphanium;hexahydrofluoride
CID 172998203
tetrabutylphosphanium;fluoride;dihydrofluoride
CID 11823303
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

Frequently Asked Questions

What is the IUPAC name of butan-1-olate;tetrabutylphosphanium?
The IUPAC name of butan-1-olate;tetrabutylphosphanium (CID 19766644) is butan-1-olate;tetrabutylphosphanium.
What is the SMILES notation for butan-1-olate;tetrabutylphosphanium?
The canonical SMILES for butan-1-olate;tetrabutylphosphanium is CCCC[O-].CCCC[P+](CCCC)(CCCC)CCCC.
What is the InChIKey of butan-1-olate;tetrabutylphosphanium?
The InChIKey is NXQUBDVIWJSNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36P.C4H9O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-3-4-5/h5-16H2,1-4H3;2-4H2,1H3/q+1;-1.
What are the key properties of butan-1-olate;tetrabutylphosphanium?
butan-1-olate;tetrabutylphosphanium has a molecular weight of 332.55 g/mol, XLogP of 6.35, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-olate;tetrabutylphosphanium is sourced from PubChem (CID 19766644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).