3-ethylpentan-3-ylphosphane;tetrabutylphosphanium

C23H53P2+ — CID 88610668

IUPAC3-ethylpentan-3-ylphosphane;tetrabutylphosphanium
SMILESCCC(P)(CC)CC.CCCC[P+](CCCC)(CCCC)CCCC
InChIInChI=1S/C16H36P.C7H17P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-4-7(8,5-2)6-3/h5-16H2,1-4H3;4-6,8H2,1-3H3/q+1;
InChIKeyKYFRDSCICICBFP-UHFFFAOYSA-N
MW391.63 g/mol
LogP9.03
Rot. Bonds15

About 3-ethylpentan-3-ylphosphane;tetrabutylphosphanium

3-ethylpentan-3-ylphosphane;tetrabutylphosphanium (PubChem CID 88610668) has the molecular formula C23H53P2+ and a molecular weight of 391.63 g/mol. Its IUPAC name is 3-ethylpentan-3-ylphosphane;tetrabutylphosphanium.

Molecular Properties

Compound Name3-ethylpentan-3-ylphosphane;tetrabutylphosphanium
PubChem CID88610668
Molecular FormulaC23H53P2+
Molecular Weight391.63 g/mol
Exact Mass391.36
IUPAC Name3-ethylpentan-3-ylphosphane;tetrabutylphosphanium
SMILESCCC(P)(CC)CC.CCCC[P+](CCCC)(CCCC)CCCC
InChIInChI=1S/C16H36P.C7H17P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-4-7(8,5-2)6-3/h5-16H2,1-4H3;4-6,8H2,1-3H3/q+1;
InChIKeyKYFRDSCICICBFP-UHFFFAOYSA-N
XLogP9.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.63
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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
tributyl(icosyl)phosphanium
CID 23086982
tributyl(tridecyl)phosphanium
CID 87194469
dibutyl(dipentyl)phosphanium iodide
CID 87778767
azane;tetrabutylphosphanium;chloride;hydrochloride
CID 174751452
butyl(triheptyl)phosphanium
CID 87777247
dibutyl(didecyl)phosphanium iodide
CID 87776919
tributyl(pentadecyl)phosphanium bromide
CID 86639781
antimony(3+);tributyl(dodecyl)phosphanium
CID 158196922

Frequently Asked Questions

What is the IUPAC name of 3-ethylpentan-3-ylphosphane;tetrabutylphosphanium?
The IUPAC name of 3-ethylpentan-3-ylphosphane;tetrabutylphosphanium (CID 88610668) is 3-ethylpentan-3-ylphosphane;tetrabutylphosphanium.
What is the SMILES notation for 3-ethylpentan-3-ylphosphane;tetrabutylphosphanium?
The canonical SMILES for 3-ethylpentan-3-ylphosphane;tetrabutylphosphanium is CCC(P)(CC)CC.CCCC[P+](CCCC)(CCCC)CCCC.
What is the InChIKey of 3-ethylpentan-3-ylphosphane;tetrabutylphosphanium?
The InChIKey is KYFRDSCICICBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36P.C7H17P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-4-7(8,5-2)6-3/h5-16H2,1-4H3;4-6,8H2,1-3H3/q+1;.
What are the key properties of 3-ethylpentan-3-ylphosphane;tetrabutylphosphanium?
3-ethylpentan-3-ylphosphane;tetrabutylphosphanium has a molecular weight of 391.63 g/mol, XLogP of 9.03, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpentan-3-ylphosphane;tetrabutylphosphanium is sourced from PubChem (CID 88610668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).