2,2,7,7-tetramethyl-1-[3-(2,2,7,7-tetramethylphosphepan-1-yl)propyl]phosphepane

C23H46P2 — CID 171050807

IUPAC2,2,7,7-tetramethyl-1-[3-(2,2,7,7-tetramethylphosphepan-1-yl)propyl]phosphepane
SMILESCC1(C)CCCCC(C)(C)P1CCCP1C(C)(C)CCCCC1(C)C
InChIInChI=1S/C23H46P2/c1-20(2)14-9-10-15-21(3,4)24(20)18-13-19-25-22(5,6)16-11-12-17-23(25,7)8/h9-19H2,1-8H3
InChIKeyCGEMMBQUVIFGJG-UHFFFAOYSA-N
MW384.57 g/mol
LogP8.60
Rot. Bonds4

About 2,2,7,7-tetramethyl-1-[3-(2,2,7,7-tetramethylphosphepan-1-yl)propyl]phosphepane

2,2,7,7-tetramethyl-1-[3-(2,2,7,7-tetramethylphosphepan-1-yl)propyl]phosphepane (PubChem CID 171050807) has the molecular formula C23H46P2 and a molecular weight of 384.57 g/mol. Its IUPAC name is 2,2,7,7-tetramethyl-1-[3-(2,2,7,7-tetramethylphosphepan-1-yl)propyl]phosphepane.

Molecular Properties

Compound Name2,2,7,7-tetramethyl-1-[3-(2,2,7,7-tetramethylphosphepan-1-yl)propyl]phosphepane
PubChem CID171050807
Molecular FormulaC23H46P2
Molecular Weight384.57 g/mol
Exact Mass384.31
IUPAC Name2,2,7,7-tetramethyl-1-[3-(2,2,7,7-tetramethylphosphepan-1-yl)propyl]phosphepane
SMILESCC1(C)CCCCC(C)(C)P1CCCP1C(C)(C)CCCCC1(C)C
InChIInChI=1S/C23H46P2/c1-20(2)14-9-10-15-21(3,4)24(20)18-13-19-25-22(5,6)16-11-12-17-23(25,7)8/h9-19H2,1-8H3
InChIKeyCGEMMBQUVIFGJG-UHFFFAOYSA-N
XLogP8.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.57
LogP ≤ 58.60
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-[3-(2,2,7,7-tetramethylphosphepan-1-yl)propyl]phosphepane?
The IUPAC name of 2,2,7,7-tetramethyl-1-[3-(2,2,7,7-tetramethylphosphepan-1-yl)propyl]phosphepane (CID 171050807) is 2,2,7,7-tetramethyl-1-[3-(2,2,7,7-tetramethylphosphepan-1-yl)propyl]phosphepane.
What is the SMILES notation for 2,2,7,7-tetramethyl-1-[3-(2,2,7,7-tetramethylphosphepan-1-yl)propyl]phosphepane?
The canonical SMILES for 2,2,7,7-tetramethyl-1-[3-(2,2,7,7-tetramethylphosphepan-1-yl)propyl]phosphepane is CC1(C)CCCCC(C)(C)P1CCCP1C(C)(C)CCCCC1(C)C.
What is the InChIKey of 2,2,7,7-tetramethyl-1-[3-(2,2,7,7-tetramethylphosphepan-1-yl)propyl]phosphepane?
The InChIKey is CGEMMBQUVIFGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46P2/c1-20(2)14-9-10-15-21(3,4)24(20)18-13-19-25-22(5,6)16-11-12-17-23(25,7)8/h9-19H2,1-8H3.
What are the key properties of 2,2,7,7-tetramethyl-1-[3-(2,2,7,7-tetramethylphosphepan-1-yl)propyl]phosphepane?
2,2,7,7-tetramethyl-1-[3-(2,2,7,7-tetramethylphosphepan-1-yl)propyl]phosphepane has a molecular weight of 384.57 g/mol, XLogP of 8.60, 4 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-[3-(2,2,7,7-tetramethylphosphepan-1-yl)propyl]phosphepane is sourced from PubChem (CID 171050807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).