2,2,7,7-tetramethyl-1-[4-(2,2,7,7-tetramethylphosphepan-1-yl)butyl]phosphepane

C24H48P2 — CID 171050811

IUPAC2,2,7,7-tetramethyl-1-[4-(2,2,7,7-tetramethylphosphepan-1-yl)butyl]phosphepane
SMILESCC1(C)CCCCC(C)(C)P1CCCCP1C(C)(C)CCCCC1(C)C
InChIInChI=1S/C24H48P2/c1-21(2)15-9-10-16-22(3,4)25(21)19-13-14-20-26-23(5,6)17-11-12-18-24(26,7)8/h9-20H2,1-8H3
InChIKeyDHZAXQRLFYVINO-UHFFFAOYSA-N
MW398.60 g/mol
LogP8.99
Rot. Bonds5

About 2,2,7,7-tetramethyl-1-[4-(2,2,7,7-tetramethylphosphepan-1-yl)butyl]phosphepane

2,2,7,7-tetramethyl-1-[4-(2,2,7,7-tetramethylphosphepan-1-yl)butyl]phosphepane (PubChem CID 171050811) has the molecular formula C24H48P2 and a molecular weight of 398.60 g/mol. Its IUPAC name is 2,2,7,7-tetramethyl-1-[4-(2,2,7,7-tetramethylphosphepan-1-yl)butyl]phosphepane.

Molecular Properties

Compound Name2,2,7,7-tetramethyl-1-[4-(2,2,7,7-tetramethylphosphepan-1-yl)butyl]phosphepane
PubChem CID171050811
Molecular FormulaC24H48P2
Molecular Weight398.60 g/mol
Exact Mass398.32
IUPAC Name2,2,7,7-tetramethyl-1-[4-(2,2,7,7-tetramethylphosphepan-1-yl)butyl]phosphepane
SMILESCC1(C)CCCCC(C)(C)P1CCCCP1C(C)(C)CCCCC1(C)C
InChIInChI=1S/C24H48P2/c1-21(2)15-9-10-16-22(3,4)25(21)19-13-14-20-26-23(5,6)17-11-12-18-24(26,7)8/h9-20H2,1-8H3
InChIKeyDHZAXQRLFYVINO-UHFFFAOYSA-N
XLogP8.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.60
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[4-(2,2,7,7-tetramethylphosphepan-1-yl)butyl]phosphepane?
The IUPAC name of 2,2,7,7-tetramethyl-1-[4-(2,2,7,7-tetramethylphosphepan-1-yl)butyl]phosphepane (CID 171050811) is 2,2,7,7-tetramethyl-1-[4-(2,2,7,7-tetramethylphosphepan-1-yl)butyl]phosphepane.
What is the SMILES notation for 2,2,7,7-tetramethyl-1-[4-(2,2,7,7-tetramethylphosphepan-1-yl)butyl]phosphepane?
The canonical SMILES for 2,2,7,7-tetramethyl-1-[4-(2,2,7,7-tetramethylphosphepan-1-yl)butyl]phosphepane is CC1(C)CCCCC(C)(C)P1CCCCP1C(C)(C)CCCCC1(C)C.
What is the InChIKey of 2,2,7,7-tetramethyl-1-[4-(2,2,7,7-tetramethylphosphepan-1-yl)butyl]phosphepane?
The InChIKey is DHZAXQRLFYVINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48P2/c1-21(2)15-9-10-16-22(3,4)25(21)19-13-14-20-26-23(5,6)17-11-12-18-24(26,7)8/h9-20H2,1-8H3.
What are the key properties of 2,2,7,7-tetramethyl-1-[4-(2,2,7,7-tetramethylphosphepan-1-yl)butyl]phosphepane?
2,2,7,7-tetramethyl-1-[4-(2,2,7,7-tetramethylphosphepan-1-yl)butyl]phosphepane has a molecular weight of 398.60 g/mol, XLogP of 8.99, 5 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-[4-(2,2,7,7-tetramethylphosphepan-1-yl)butyl]phosphepane is sourced from PubChem (CID 171050811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).