2,2,7,7-tetramethyl-1-(2,2,7,7-tetramethylphosphepan-1-yl)phosphepane

C20H40P2 — CID 171050864

IUPAC2,2,7,7-tetramethyl-1-(2,2,7,7-tetramethylphosphepan-1-yl)phosphepane
SMILESCC1(C)CCCCC(C)(C)P1P1C(C)(C)CCCCC1(C)C
InChIInChI=1S/C20H40P2/c1-17(2)13-9-10-14-18(3,4)21(17)22-19(5,6)15-11-12-16-20(22,7)8/h9-16H2,1-8H3
InChIKeyBTJHRHCOEXTRJH-UHFFFAOYSA-N
MW342.49 g/mol
LogP8.13
Rot. Bonds1

About 2,2,7,7-tetramethyl-1-(2,2,7,7-tetramethylphosphepan-1-yl)phosphepane

2,2,7,7-tetramethyl-1-(2,2,7,7-tetramethylphosphepan-1-yl)phosphepane (PubChem CID 171050864) has the molecular formula C20H40P2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 2,2,7,7-tetramethyl-1-(2,2,7,7-tetramethylphosphepan-1-yl)phosphepane.

Molecular Properties

Compound Name2,2,7,7-tetramethyl-1-(2,2,7,7-tetramethylphosphepan-1-yl)phosphepane
PubChem CID171050864
Molecular FormulaC20H40P2
Molecular Weight342.49 g/mol
Exact Mass342.26
IUPAC Name2,2,7,7-tetramethyl-1-(2,2,7,7-tetramethylphosphepan-1-yl)phosphepane
SMILESCC1(C)CCCCC(C)(C)P1P1C(C)(C)CCCCC1(C)C
InChIInChI=1S/C20H40P2/c1-17(2)13-9-10-14-18(3,4)21(17)22-19(5,6)15-11-12-16-20(22,7)8/h9-16H2,1-8H3
InChIKeyBTJHRHCOEXTRJH-UHFFFAOYSA-N
XLogP8.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.49
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,7,7-tetramethyl-1-(2,2,7,7-tetramethylphosphepan-1-yl)phosphepane?
The IUPAC name of 2,2,7,7-tetramethyl-1-(2,2,7,7-tetramethylphosphepan-1-yl)phosphepane (CID 171050864) is 2,2,7,7-tetramethyl-1-(2,2,7,7-tetramethylphosphepan-1-yl)phosphepane.
What is the SMILES notation for 2,2,7,7-tetramethyl-1-(2,2,7,7-tetramethylphosphepan-1-yl)phosphepane?
The canonical SMILES for 2,2,7,7-tetramethyl-1-(2,2,7,7-tetramethylphosphepan-1-yl)phosphepane is CC1(C)CCCCC(C)(C)P1P1C(C)(C)CCCCC1(C)C.
What is the InChIKey of 2,2,7,7-tetramethyl-1-(2,2,7,7-tetramethylphosphepan-1-yl)phosphepane?
The InChIKey is BTJHRHCOEXTRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40P2/c1-17(2)13-9-10-14-18(3,4)21(17)22-19(5,6)15-11-12-16-20(22,7)8/h9-16H2,1-8H3.
What are the key properties of 2,2,7,7-tetramethyl-1-(2,2,7,7-tetramethylphosphepan-1-yl)phosphepane?
2,2,7,7-tetramethyl-1-(2,2,7,7-tetramethylphosphepan-1-yl)phosphepane has a molecular weight of 342.49 g/mol, XLogP of 8.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7,7-tetramethyl-1-(2,2,7,7-tetramethylphosphepan-1-yl)phosphepane is sourced from PubChem (CID 171050864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).