dibenzyl-tert-butyl-(2,2-dimethylpropyl)phosphanium

C23H34P+ — CID 173031877

IUPACdibenzyl-tert-butyl-(2,2-dimethylpropyl)phosphanium
SMILESCC(C)(C)C[P+](Cc1ccccc1)(Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C23H34P/c1-22(2,3)19-24(23(4,5)6,17-20-13-9-7-10-14-20)18-21-15-11-8-12-16-21/h7-16H,17-19H2,1-6H3/q+1
InChIKeyLTDNYRCEEXFDJA-UHFFFAOYSA-N
MW341.50 g/mol
LogP7.25
Rot. Bonds5

About dibenzyl-tert-butyl-(2,2-dimethylpropyl)phosphanium

dibenzyl-tert-butyl-(2,2-dimethylpropyl)phosphanium (PubChem CID 173031877) has the molecular formula C23H34P+ and a molecular weight of 341.50 g/mol. Its IUPAC name is dibenzyl-tert-butyl-(2,2-dimethylpropyl)phosphanium.

Molecular Properties

Compound Namedibenzyl-tert-butyl-(2,2-dimethylpropyl)phosphanium
PubChem CID173031877
Molecular FormulaC23H34P+
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC Namedibenzyl-tert-butyl-(2,2-dimethylpropyl)phosphanium
SMILESCC(C)(C)C[P+](Cc1ccccc1)(Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C23H34P/c1-22(2,3)19-24(23(4,5)6,17-20-13-9-7-10-14-20)18-21-15-11-8-12-16-21/h7-16H,17-19H2,1-6H3/q+1
InChIKeyLTDNYRCEEXFDJA-UHFFFAOYSA-N
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 57.25
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

2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2,3-trimethylbutane
CID 159235518
[(2S)-4,4-dimethyl-1-phenylpentan-2-yl]azanium
CID 140963970
2,2-dimethylpropylbenzene;methanol
CID 157125736
benzyl(trimethyl)phosphanium;hydrochloride
CID 154945285
benzyl(trimethyl)phosphanium;hydrobromide
CID 154945301
O-ethyl 2-benzyl-4,4-dimethylpentanethioate
CID 56605697
2-[2-(1-phenylpropan-2-ylperoxy)propan-2-ylperoxy]propylbenzene
CID 169006233
(2,2-dimethyl-1-phenylpropyl)benzene;2,2-dimethylpropylbenzene
CID 158424284
(2S)-3,3-dimethyl-1-phenylbutan-2-ol
CID 12689722
2,2,5,5-tetramethylhexan-3-ylbenzene
CID 546256
3,3-dimethyl-1-phenylbutan-2-ol
CID 5051506
tribenzyl(ethyl)phosphanium
CID 23415376

Frequently Asked Questions

What is the IUPAC name of dibenzyl-tert-butyl-(2,2-dimethylpropyl)phosphanium?
The IUPAC name of dibenzyl-tert-butyl-(2,2-dimethylpropyl)phosphanium (CID 173031877) is dibenzyl-tert-butyl-(2,2-dimethylpropyl)phosphanium.
What is the SMILES notation for dibenzyl-tert-butyl-(2,2-dimethylpropyl)phosphanium?
The canonical SMILES for dibenzyl-tert-butyl-(2,2-dimethylpropyl)phosphanium is CC(C)(C)C[P+](Cc1ccccc1)(Cc1ccccc1)C(C)(C)C.
What is the InChIKey of dibenzyl-tert-butyl-(2,2-dimethylpropyl)phosphanium?
The InChIKey is LTDNYRCEEXFDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34P/c1-22(2,3)19-24(23(4,5)6,17-20-13-9-7-10-14-20)18-21-15-11-8-12-16-21/h7-16H,17-19H2,1-6H3/q+1.
What are the key properties of dibenzyl-tert-butyl-(2,2-dimethylpropyl)phosphanium?
dibenzyl-tert-butyl-(2,2-dimethylpropyl)phosphanium has a molecular weight of 341.50 g/mol, XLogP of 7.25, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl-tert-butyl-(2,2-dimethylpropyl)phosphanium is sourced from PubChem (CID 173031877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).