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

C22H44P2 — CID 171050868

IUPAC2,2,7,7-tetramethyl-1-[2-(2,2,7,7-tetramethylphosphepan-1-yl)ethyl]phosphepane
SMILESCC1(C)CCCCC(C)(C)P1CCP1C(C)(C)CCCCC1(C)C
InChIInChI=1S/C22H44P2/c1-19(2)13-9-10-14-20(3,4)23(19)17-18-24-21(5,6)15-11-12-16-22(24,7)8/h9-18H2,1-8H3
InChIKeyKVIXPDJKNYCEES-UHFFFAOYSA-N
MW370.54 g/mol
LogP8.21
Rot. Bonds3

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

2,2,7,7-tetramethyl-1-[2-(2,2,7,7-tetramethylphosphepan-1-yl)ethyl]phosphepane (PubChem CID 171050868) has the molecular formula C22H44P2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 2,2,7,7-tetramethyl-1-[2-(2,2,7,7-tetramethylphosphepan-1-yl)ethyl]phosphepane.

Molecular Properties

Compound Name2,2,7,7-tetramethyl-1-[2-(2,2,7,7-tetramethylphosphepan-1-yl)ethyl]phosphepane
PubChem CID171050868
Molecular FormulaC22H44P2
Molecular Weight370.54 g/mol
Exact Mass370.29
IUPAC Name2,2,7,7-tetramethyl-1-[2-(2,2,7,7-tetramethylphosphepan-1-yl)ethyl]phosphepane
SMILESCC1(C)CCCCC(C)(C)P1CCP1C(C)(C)CCCCC1(C)C
InChIInChI=1S/C22H44P2/c1-19(2)13-9-10-14-20(3,4)23(19)17-18-24-21(5,6)15-11-12-16-22(24,7)8/h9-18H2,1-8H3
InChIKeyKVIXPDJKNYCEES-UHFFFAOYSA-N
XLogP8.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 58.21
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

(2S,7S)-1-[2-[(2S,7S)-2,7-dimethylphosphepan-1-yl]ethyl]-2,7-dimethylphosphepane
CID 140850135
(2S,7S)-1-[(2S)-3-[(2S,7S)-2,7-dimethylphosphepan-1-yl]butan-2-yl]-2,7-dimethylphosphepane
CID 140850202
(2S,7S)-1-methanidyl-1-[(2S)-3-[(2S,7S)-1-methanidyl-2,7-dimethylphosphepan-1-ium-1-yl]butan-2-yl]-2,7-dimethylphosphepan-1-ium
CID 141634445
(2S,7S)-1-methanidyl-1-[2-[(2S,7S)-1-methanidyl-2,7-dimethylphosphepan-1-ium-1-yl]ethyl]-2,7-dimethylphosphepan-1-ium
CID 141634473
(2S,7S)-1-[3-[(2S,7S)-2,7-dimethylphosphepan-1-yl]butan-2-yl]-2,7-dimethylphosphepane
CID 156621519
(2S,7S)-1-[(2S,3S)-3-[(2S,7S)-2,7-dimethylphosphepan-1-yl]butan-2-yl]-2,7-dimethylphosphepane
CID 168105585
2,2,7,7-Tetramethyl-1-[3-(2,2,7,7-tetramethylphosphepan-1-yl)propyl]phosphepane
CID 171050807
2,2,7,7-Tetramethyl-1-[4-(2,2,7,7-tetramethylphosphepan-1-yl)butyl]phosphepane
CID 171050811
2,2,7,7-Tetramethyl-1-[(2,2,7,7-tetramethylphosphepan-1-yl)methyl]phosphepane
CID 171050849
2,2,7,7-Tetramethyl-1-(2,2,7,7-tetramethylphosphepan-1-yl)phosphepane
CID 171050864
5,6,6,12,13,13-Hexabutyl-7-phosphoniaspiro[6.6]tridecane
CID 20258491

Frequently Asked Questions

What is the IUPAC name of 2,2,7,7-tetramethyl-1-[2-(2,2,7,7-tetramethylphosphepan-1-yl)ethyl]phosphepane?
The IUPAC name of 2,2,7,7-tetramethyl-1-[2-(2,2,7,7-tetramethylphosphepan-1-yl)ethyl]phosphepane (CID 171050868) is 2,2,7,7-tetramethyl-1-[2-(2,2,7,7-tetramethylphosphepan-1-yl)ethyl]phosphepane.
What is the SMILES notation for 2,2,7,7-tetramethyl-1-[2-(2,2,7,7-tetramethylphosphepan-1-yl)ethyl]phosphepane?
The canonical SMILES for 2,2,7,7-tetramethyl-1-[2-(2,2,7,7-tetramethylphosphepan-1-yl)ethyl]phosphepane is CC1(C)CCCCC(C)(C)P1CCP1C(C)(C)CCCCC1(C)C.
What is the InChIKey of 2,2,7,7-tetramethyl-1-[2-(2,2,7,7-tetramethylphosphepan-1-yl)ethyl]phosphepane?
The InChIKey is KVIXPDJKNYCEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44P2/c1-19(2)13-9-10-14-20(3,4)23(19)17-18-24-21(5,6)15-11-12-16-22(24,7)8/h9-18H2,1-8H3.
What are the key properties of 2,2,7,7-tetramethyl-1-[2-(2,2,7,7-tetramethylphosphepan-1-yl)ethyl]phosphepane?
2,2,7,7-tetramethyl-1-[2-(2,2,7,7-tetramethylphosphepan-1-yl)ethyl]phosphepane has a molecular weight of 370.54 g/mol, XLogP of 8.21, 3 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-(2,2,7,7-tetramethylphosphepan-1-yl)ethyl]phosphepane is sourced from PubChem (CID 171050868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).