1-tert-butyl-2,2,6,6-tetramethyl-3H-phosphinine

C13H25P — CID 58051235

IUPAC1-tert-butyl-2,2,6,6-tetramethyl-3H-phosphinine
SMILESCC(C)(C)P1C(C)(C)C=CCC1(C)C
InChIInChI=1S/C13H25P/c1-11(2,3)14-12(4,5)9-8-10-13(14,6)7/h8-9H,10H2,1-7H3
InChIKeyHQSAMIVIGRRIAK-UHFFFAOYSA-N
MW212.32 g/mol
LogP4.78
Rot. Bonds

About 1-tert-butyl-2,2,6,6-tetramethyl-3H-phosphinine

1-tert-butyl-2,2,6,6-tetramethyl-3H-phosphinine (PubChem CID 58051235) has the molecular formula C13H25P and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-tert-butyl-2,2,6,6-tetramethyl-3H-phosphinine.

Molecular Properties

Compound Name1-tert-butyl-2,2,6,6-tetramethyl-3H-phosphinine
PubChem CID58051235
Molecular FormulaC13H25P
Molecular Weight212.32 g/mol
Exact Mass212.17
IUPAC Name1-tert-butyl-2,2,6,6-tetramethyl-3H-phosphinine
SMILESCC(C)(C)P1C(C)(C)C=CCC1(C)C
InChIInChI=1S/C13H25P/c1-11(2,3)14-12(4,5)9-8-10-13(14,6)7/h8-9H,10H2,1-7H3
InChIKeyHQSAMIVIGRRIAK-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,2,6,6-tetramethyl-3H-phosphinine?
The IUPAC name of 1-tert-butyl-2,2,6,6-tetramethyl-3H-phosphinine (CID 58051235) is 1-tert-butyl-2,2,6,6-tetramethyl-3H-phosphinine.
What is the SMILES notation for 1-tert-butyl-2,2,6,6-tetramethyl-3H-phosphinine?
The canonical SMILES for 1-tert-butyl-2,2,6,6-tetramethyl-3H-phosphinine is CC(C)(C)P1C(C)(C)C=CCC1(C)C.
What is the InChIKey of 1-tert-butyl-2,2,6,6-tetramethyl-3H-phosphinine?
The InChIKey is HQSAMIVIGRRIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25P/c1-11(2,3)14-12(4,5)9-8-10-13(14,6)7/h8-9H,10H2,1-7H3.
What are the key properties of 1-tert-butyl-2,2,6,6-tetramethyl-3H-phosphinine?
1-tert-butyl-2,2,6,6-tetramethyl-3H-phosphinine has a molecular weight of 212.32 g/mol, XLogP of 4.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,2,6,6-tetramethyl-3H-phosphinine is sourced from PubChem (CID 58051235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).