ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-2-ethyl-4,6-dimethylphenyl]methyl]phosphane

C28H52P2 — CID 15849451

IUPACditert-butyl-[[3-(ditert-butylphosphanylmethyl)-2-ethyl-4,6-dimethylphenyl]methyl]phosphane
SMILESCCc1c(CP(C(C)(C)C)C(C)(C)C)c(C)cc(C)c1CP(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C28H52P2/c1-16-22-23(18-29(25(4,5)6)26(7,8)9)20(2)17-21(3)24(22)19-30(27(10,11)12)28(13,14)15/h17H,16,18-19H2,1-15H3
InChIKeyQDBJPEGFBLITCV-UHFFFAOYSA-N
MW450.67 g/mol
LogP10.02
Rot. Bonds5

About ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-2-ethyl-4,6-dimethylphenyl]methyl]phosphane

ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-2-ethyl-4,6-dimethylphenyl]methyl]phosphane (PubChem CID 15849451) has the molecular formula C28H52P2 and a molecular weight of 450.67 g/mol. Its IUPAC name is ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-2-ethyl-4,6-dimethylphenyl]methyl]phosphane.

Molecular Properties

Compound Nameditert-butyl-[[3-(ditert-butylphosphanylmethyl)-2-ethyl-4,6-dimethylphenyl]methyl]phosphane
PubChem CID15849451
Molecular FormulaC28H52P2
Molecular Weight450.67 g/mol
Exact Mass450.35
IUPAC Nameditert-butyl-[[3-(ditert-butylphosphanylmethyl)-2-ethyl-4,6-dimethylphenyl]methyl]phosphane
SMILESCCc1c(CP(C(C)(C)C)C(C)(C)C)c(C)cc(C)c1CP(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C28H52P2/c1-16-22-23(18-29(25(4,5)6)26(7,8)9)20(2)17-21(3)24(22)19-30(27(10,11)12)28(13,14)15/h17H,16,18-19H2,1-15H3
InChIKeyQDBJPEGFBLITCV-UHFFFAOYSA-N
XLogP10.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.67
LogP ≤ 510.02
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-ethyl-5-(4-ethyl-3-hydroxy-5-methylphenyl)-3-methylphenol
CID 134165367
ditert-butyl-[[2-(ditert-butylphosphanylmethyl)-3,6-diphenylphenyl]methyl]phosphane
CID 87464602
4-tert-butyl-1,2-dimethylbenzene;ditert-butyl-[[4-tert-butyl-2-(ditert-butylphosphanylmethyl)phenyl]methyl]phosphane
CID 159028683
2-ethyl-3,5-dimethylbicyclo[4.1.0]hepta-1,3,5-trien-7-one
CID 141075243
[3-(dimethylphosphanylmethyl)-2,4,6-trimethylphenyl]methyl-dimethylphosphane
CID 88828585
5-ethyl-4,6-dimethylpyridin-2-amine
CID 45079042
tris(1,2,3,4,5-pentamethylbenzene);bis(1,2,4,5-tetramethylbenzene);2,3,4-triethyl-1,5-dimethylbenzene;1,3-xylene
CID 160655385
CID 173477690
CID 173477690
acetylene;butane;3-ethyl-1,2,4,5-tetramethylbenzene
CID 167475137
butane;2,4-diethyl-1,3,5-trimethylbenzene;ethane;methane;2-methylpropane;propane
CID 143347654
(4-ethyl-3,5-dimethylphenyl)boronic acid
CID 46736813
[3-[di(propan-2-yl)phosphanylmethyl]-2,4,6-trimethylphenyl]methyl-di(propan-2-yl)phosphane
CID 10886529

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-2-ethyl-4,6-dimethylphenyl]methyl]phosphane?
The IUPAC name of ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-2-ethyl-4,6-dimethylphenyl]methyl]phosphane (CID 15849451) is ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-2-ethyl-4,6-dimethylphenyl]methyl]phosphane.
What is the SMILES notation for ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-2-ethyl-4,6-dimethylphenyl]methyl]phosphane?
The canonical SMILES for ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-2-ethyl-4,6-dimethylphenyl]methyl]phosphane is CCc1c(CP(C(C)(C)C)C(C)(C)C)c(C)cc(C)c1CP(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-2-ethyl-4,6-dimethylphenyl]methyl]phosphane?
The InChIKey is QDBJPEGFBLITCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52P2/c1-16-22-23(18-29(25(4,5)6)26(7,8)9)20(2)17-21(3)24(22)19-30(27(10,11)12)28(13,14)15/h17H,16,18-19H2,1-15H3.
What are the key properties of ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-2-ethyl-4,6-dimethylphenyl]methyl]phosphane?
ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-2-ethyl-4,6-dimethylphenyl]methyl]phosphane has a molecular weight of 450.67 g/mol, XLogP of 10.02, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-2-ethyl-4,6-dimethylphenyl]methyl]phosphane is sourced from PubChem (CID 15849451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).