2-[tert-butyl(2-ditert-butylphosphorylethyl)phosphoryl]-2-methylpropane

C18H40O2P2 — CID 616942

IUPAC2-[tert-butyl(2-ditert-butylphosphorylethyl)phosphoryl]-2-methylpropane
SMILESCC(C)(C)P(=O)(CCP(=O)(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H40O2P2/c1-15(2,3)21(19,16(4,5)6)13-14-22(20,17(7,8)9)18(10,11)12/h13-14H2,1-12H3
InChIKeyHGMJMMXVHAQDED-UHFFFAOYSA-N
MW350.46 g/mol
LogP6.91
Rot. Bonds3

About 2-[tert-butyl(2-ditert-butylphosphorylethyl)phosphoryl]-2-methylpropane

2-[tert-butyl(2-ditert-butylphosphorylethyl)phosphoryl]-2-methylpropane (PubChem CID 616942) has the molecular formula C18H40O2P2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-[tert-butyl(2-ditert-butylphosphorylethyl)phosphoryl]-2-methylpropane.

Molecular Properties

Compound Name2-[tert-butyl(2-ditert-butylphosphorylethyl)phosphoryl]-2-methylpropane
PubChem CID616942
Molecular FormulaC18H40O2P2
Molecular Weight350.46 g/mol
Exact Mass350.25
IUPAC Name2-[tert-butyl(2-ditert-butylphosphorylethyl)phosphoryl]-2-methylpropane
SMILESCC(C)(C)P(=O)(CCP(=O)(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H40O2P2/c1-15(2,3)21(19,16(4,5)6)13-14-22(20,17(7,8)9)18(10,11)12/h13-14H2,1-12H3
InChIKeyHGMJMMXVHAQDED-UHFFFAOYSA-N
XLogP6.91
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[tert-butyl(2-ditert-butylphosphorylethyl)phosphoryl]-2-methylpropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[tert-butyl(propyl)phosphoryl]-2-methylpropane
CID 546154
2-[bromomethyl(tert-butyl)phosphoryl]-2-methylpropane
CID 59576311
2-bis(propylsulfanyl)phosphoryl-2-methylpropane
CID 23413470
copper tert-butyl-dioxido-oxo-λ5-phosphane
CID 155673850
2-[tert-butyl(fluoro)phosphoryl]-2-methylpropane
CID 14144673
aluminum tris(tert-butyl(methyl)phosphinate)
CID 173016084
aluminum tris(ditert-butylphosphinate)
CID 175284123
ditert-butylphosphinic acid;hydrochloride
CID 175112016
3,3-dimethylbutylphosphonic acid
CID 15402429
aminomethyl(tert-butyl)phosphinic acid
CID 14024293
2-[hydroxy(2-hydroxypropan-2-yl)phosphoryl]ethyl-(2-hydroxypropan-2-yl)phosphinic acid;zinc
CID 87107997
2-dipropoxyphosphoryl-2-methylpropane
CID 58435824

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(2-ditert-butylphosphorylethyl)phosphoryl]-2-methylpropane?
The IUPAC name of 2-[tert-butyl(2-ditert-butylphosphorylethyl)phosphoryl]-2-methylpropane (CID 616942) is 2-[tert-butyl(2-ditert-butylphosphorylethyl)phosphoryl]-2-methylpropane.
What is the SMILES notation for 2-[tert-butyl(2-ditert-butylphosphorylethyl)phosphoryl]-2-methylpropane?
The canonical SMILES for 2-[tert-butyl(2-ditert-butylphosphorylethyl)phosphoryl]-2-methylpropane is CC(C)(C)P(=O)(CCP(=O)(C(C)(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(2-ditert-butylphosphorylethyl)phosphoryl]-2-methylpropane?
The InChIKey is HGMJMMXVHAQDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O2P2/c1-15(2,3)21(19,16(4,5)6)13-14-22(20,17(7,8)9)18(10,11)12/h13-14H2,1-12H3.
What are the key properties of 2-[tert-butyl(2-ditert-butylphosphorylethyl)phosphoryl]-2-methylpropane?
2-[tert-butyl(2-ditert-butylphosphorylethyl)phosphoryl]-2-methylpropane has a molecular weight of 350.46 g/mol, XLogP of 6.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(2-ditert-butylphosphorylethyl)phosphoryl]-2-methylpropane is sourced from PubChem (CID 616942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).