1,1,1-triethyl-3,6-dihydro-2H-1λ5-phosphinine

C11H23P — CID 141136563

IUPAC1,1,1-triethyl-3,6-dihydro-2H-1λ5-phosphinine
SMILESCCP1(CC)(CC)CC=CCC1
InChIInChI=1S/C11H23P/c1-4-12(5-2,6-3)10-8-7-9-11-12/h7-8H,4-6,9-11H2,1-3H3
InChIKeyBRTYNZOXVJIFGN-UHFFFAOYSA-N
MW186.28 g/mol
LogP3.56
Rot. Bonds3

About 1,1,1-triethyl-3,6-dihydro-2H-1λ5-phosphinine

1,1,1-triethyl-3,6-dihydro-2H-1λ5-phosphinine (PubChem CID 141136563) has the molecular formula C11H23P and a molecular weight of 186.28 g/mol. Its IUPAC name is 1,1,1-triethyl-3,6-dihydro-2H-1λ5-phosphinine.

Molecular Properties

Compound Name1,1,1-triethyl-3,6-dihydro-2H-1λ5-phosphinine
PubChem CID141136563
Molecular FormulaC11H23P
Molecular Weight186.28 g/mol
Exact Mass186.15
IUPAC Name1,1,1-triethyl-3,6-dihydro-2H-1λ5-phosphinine
SMILESCCP1(CC)(CC)CC=CCC1
InChIInChI=1S/C11H23P/c1-4-12(5-2,6-3)10-8-7-9-11-12/h7-8H,4-6,9-11H2,1-3H3
InChIKeyBRTYNZOXVJIFGN-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 53.56
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 1,1,1-triethyl-3,6-dihydro-2H-1λ5-phosphinine?
The IUPAC name of 1,1,1-triethyl-3,6-dihydro-2H-1λ5-phosphinine (CID 141136563) is 1,1,1-triethyl-3,6-dihydro-2H-1λ5-phosphinine.
What is the SMILES notation for 1,1,1-triethyl-3,6-dihydro-2H-1λ5-phosphinine?
The canonical SMILES for 1,1,1-triethyl-3,6-dihydro-2H-1λ5-phosphinine is CCP1(CC)(CC)CC=CCC1.
What is the InChIKey of 1,1,1-triethyl-3,6-dihydro-2H-1λ5-phosphinine?
The InChIKey is BRTYNZOXVJIFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23P/c1-4-12(5-2,6-3)10-8-7-9-11-12/h7-8H,4-6,9-11H2,1-3H3.
What are the key properties of 1,1,1-triethyl-3,6-dihydro-2H-1λ5-phosphinine?
1,1,1-triethyl-3,6-dihydro-2H-1λ5-phosphinine has a molecular weight of 186.28 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-triethyl-3,6-dihydro-2H-1λ5-phosphinine is sourced from PubChem (CID 141136563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).