[(1S)-1-diphenylphosphorylbutyl]-ethyl-diphenylphosphanium

C30H33OP2+ — CID 98526281

IUPAC[(1S)-1-diphenylphosphorylbutyl]-ethyl-diphenylphosphanium
SMILESCCC[C@H](P(=O)(c1ccccc1)c1ccccc1)[P+](CC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H33OP2/c1-3-17-30(33(31,28-22-13-7-14-23-28)29-24-15-8-16-25-29)32(4-2,26-18-9-5-10-19-26)27-20-11-6-12-21-27/h5-16,18-25,30H,3-4,17H2,1-2H3/q+1/t30-/m0/s1
InChIKeyDTNLSNJPIHVGCR-PMERELPUSA-N
MW471.54 g/mol
LogP6.82
Rot. Bonds9

About [(1S)-1-diphenylphosphorylbutyl]-ethyl-diphenylphosphanium

[(1S)-1-diphenylphosphorylbutyl]-ethyl-diphenylphosphanium (PubChem CID 98526281) has the molecular formula C30H33OP2+ and a molecular weight of 471.54 g/mol. Its IUPAC name is [(1S)-1-diphenylphosphorylbutyl]-ethyl-diphenylphosphanium.

Molecular Properties

Compound Name[(1S)-1-diphenylphosphorylbutyl]-ethyl-diphenylphosphanium
PubChem CID98526281
Molecular FormulaC30H33OP2+
Molecular Weight471.54 g/mol
Exact Mass471.20
IUPAC Name[(1S)-1-diphenylphosphorylbutyl]-ethyl-diphenylphosphanium
SMILESCCC[C@H](P(=O)(c1ccccc1)c1ccccc1)[P+](CC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H33OP2/c1-3-17-30(33(31,28-22-13-7-14-23-28)29-24-15-8-16-25-29)32(4-2,26-18-9-5-10-19-26)27-20-11-6-12-21-27/h5-16,18-25,30H,3-4,17H2,1-2H3/q+1/t30-/m0/s1
InChIKeyDTNLSNJPIHVGCR-PMERELPUSA-N
XLogP6.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.54
LogP ≤ 56.82
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

2-(1-diphenylphosphorylbutyl)propanedinitrile
CID 71423566
N-benzyl-N-(1-diphenylphosphorylbutyl)hydroxylamine
CID 175479837
ethyl 2-diphenylphosphorylbutanoate
CID 3289808
[(R)-diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene
CID 98516755
4-(1-diphenylphosphorylbutyl)morpholine
CID 86180321
1-[ethylsulfanyl(phenyl)phosphoryl]butan-1-ol
CID 13048789
(3R,4S,5R)-4-diphenylphosphorylhept-1-ene-3,5-diol
CID 10336740
methyl-phenyl-dipropylphosphanium
CID 70584071
1-diphenylphosphorylpropoxy(trimethyl)silane
CID 12930453
N-[butylamino(phenyl)phosphoryl]butan-1-amine
CID 12884898
[chloro(diphenylphosphoryl)methyl]-methyl-diphenylphosphanium
CID 23415394
[[(E)-4-methyldec-3-en-5-yl]-phenylphosphoryl]benzene
CID 10021038

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-diphenylphosphorylbutyl]-ethyl-diphenylphosphanium?
The IUPAC name of [(1S)-1-diphenylphosphorylbutyl]-ethyl-diphenylphosphanium (CID 98526281) is [(1S)-1-diphenylphosphorylbutyl]-ethyl-diphenylphosphanium.
What is the SMILES notation for [(1S)-1-diphenylphosphorylbutyl]-ethyl-diphenylphosphanium?
The canonical SMILES for [(1S)-1-diphenylphosphorylbutyl]-ethyl-diphenylphosphanium is CCC[C@H](P(=O)(c1ccccc1)c1ccccc1)[P+](CC)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1S)-1-diphenylphosphorylbutyl]-ethyl-diphenylphosphanium?
The InChIKey is DTNLSNJPIHVGCR-PMERELPUSA-N. The full InChI is InChI=1S/C30H33OP2/c1-3-17-30(33(31,28-22-13-7-14-23-28)29-24-15-8-16-25-29)32(4-2,26-18-9-5-10-19-26)27-20-11-6-12-21-27/h5-16,18-25,30H,3-4,17H2,1-2H3/q+1/t30-/m0/s1.
What are the key properties of [(1S)-1-diphenylphosphorylbutyl]-ethyl-diphenylphosphanium?
[(1S)-1-diphenylphosphorylbutyl]-ethyl-diphenylphosphanium has a molecular weight of 471.54 g/mol, XLogP of 6.82, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-diphenylphosphorylbutyl]-ethyl-diphenylphosphanium is sourced from PubChem (CID 98526281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).