butyl-(2-ethyl-3-hydroxy-4-methylpentyl)-diphenylphosphanium

C24H36OP+ — CID 175852086

IUPACbutyl-(2-ethyl-3-hydroxy-4-methylpentyl)-diphenylphosphanium
SMILESCCCC[P+](CC(CC)C(O)C(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H36OP/c1-5-7-18-26(22-14-10-8-11-15-22,23-16-12-9-13-17-23)19-21(6-2)24(25)20(3)4/h8-17,20-21,24-25H,5-7,18-19H2,1-4H3/q+1
InChIKeyIEHCMOFCVVXVJD-UHFFFAOYSA-N
MW371.53 g/mol
LogP5.50
Rot. Bonds10

About butyl-(2-ethyl-3-hydroxy-4-methylpentyl)-diphenylphosphanium

butyl-(2-ethyl-3-hydroxy-4-methylpentyl)-diphenylphosphanium (PubChem CID 175852086) has the molecular formula C24H36OP+ and a molecular weight of 371.53 g/mol. Its IUPAC name is butyl-(2-ethyl-3-hydroxy-4-methylpentyl)-diphenylphosphanium.

Molecular Properties

Compound Namebutyl-(2-ethyl-3-hydroxy-4-methylpentyl)-diphenylphosphanium
PubChem CID175852086
Molecular FormulaC24H36OP+
Molecular Weight371.53 g/mol
Exact Mass371.25
IUPAC Namebutyl-(2-ethyl-3-hydroxy-4-methylpentyl)-diphenylphosphanium
SMILESCCCC[P+](CC(CC)C(O)C(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H36OP/c1-5-7-18-26(22-14-10-8-11-15-22,23-16-12-9-13-17-23)19-21(6-2)24(25)20(3)4/h8-17,20-21,24-25H,5-7,18-19H2,1-4H3/q+1
InChIKeyIEHCMOFCVVXVJD-UHFFFAOYSA-N
XLogP5.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.53
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dibutyl(diphenyl)phosphanium acetate
CID 175126933
decyl-[6-[nonyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium
CID 176612024
dodecyl-[2-[dodecyl(diphenyl)phosphaniumyl]ethyl]-diphenylphosphanium
CID 102531714
butyl-(4,4-dimethylpentyl)-diphenylphosphanium
CID 58520425
(1S)-1-phenylpentan-1-ol
CID 6992754
hydroxy-octyl-diphenylphosphanium
CID 67135899
diphenyl(dipropyl)phosphanium chloride
CID 69307646
methyl-phenyl-dipropylphosphanium
CID 70584071
phenol;tetrabutylphosphanium
CID 20524943
butyl(triphenyl)phosphanium;phosphane;chloride
CID 172806882
5,7-diethylundecan-6-ol
CID 89253066
benzene;hexan-2-ol
CID 174579547

Frequently Asked Questions

What is the IUPAC name of butyl-(2-ethyl-3-hydroxy-4-methylpentyl)-diphenylphosphanium?
The IUPAC name of butyl-(2-ethyl-3-hydroxy-4-methylpentyl)-diphenylphosphanium (CID 175852086) is butyl-(2-ethyl-3-hydroxy-4-methylpentyl)-diphenylphosphanium.
What is the SMILES notation for butyl-(2-ethyl-3-hydroxy-4-methylpentyl)-diphenylphosphanium?
The canonical SMILES for butyl-(2-ethyl-3-hydroxy-4-methylpentyl)-diphenylphosphanium is CCCC[P+](CC(CC)C(O)C(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of butyl-(2-ethyl-3-hydroxy-4-methylpentyl)-diphenylphosphanium?
The InChIKey is IEHCMOFCVVXVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36OP/c1-5-7-18-26(22-14-10-8-11-15-22,23-16-12-9-13-17-23)19-21(6-2)24(25)20(3)4/h8-17,20-21,24-25H,5-7,18-19H2,1-4H3/q+1.
What are the key properties of butyl-(2-ethyl-3-hydroxy-4-methylpentyl)-diphenylphosphanium?
butyl-(2-ethyl-3-hydroxy-4-methylpentyl)-diphenylphosphanium has a molecular weight of 371.53 g/mol, XLogP of 5.50, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(2-ethyl-3-hydroxy-4-methylpentyl)-diphenylphosphanium is sourced from PubChem (CID 175852086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).