2,2,6-triethyl-1-methyl-6-propylphosphinan-4-one

C15H29OP — CID 122695411

IUPAC2,2,6-triethyl-1-methyl-6-propylphosphinan-4-one
SMILESCCCC1(CC)CC(=O)CC(CC)(CC)P1C
InChIInChI=1S/C15H29OP/c1-6-10-15(9-4)12-13(16)11-14(7-2,8-3)17(15)5/h6-12H2,1-5H3
InChIKeyGZDKVCQFGDMMGP-UHFFFAOYSA-N
MW256.37 g/mol
LogP4.97
Rot. Bonds5

About 2,2,6-triethyl-1-methyl-6-propylphosphinan-4-one

2,2,6-triethyl-1-methyl-6-propylphosphinan-4-one (PubChem CID 122695411) has the molecular formula C15H29OP and a molecular weight of 256.37 g/mol. Its IUPAC name is 2,2,6-triethyl-1-methyl-6-propylphosphinan-4-one.

Molecular Properties

Compound Name2,2,6-triethyl-1-methyl-6-propylphosphinan-4-one
PubChem CID122695411
Molecular FormulaC15H29OP
Molecular Weight256.37 g/mol
Exact Mass256.20
IUPAC Name2,2,6-triethyl-1-methyl-6-propylphosphinan-4-one
SMILESCCCC1(CC)CC(=O)CC(CC)(CC)P1C
InChIInChI=1S/C15H29OP/c1-6-10-15(9-4)12-13(16)11-14(7-2,8-3)17(15)5/h6-12H2,1-5H3
InChIKeyGZDKVCQFGDMMGP-UHFFFAOYSA-N
XLogP4.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-triethyl-1-methyl-6-propylphosphinan-4-one?
The IUPAC name of 2,2,6-triethyl-1-methyl-6-propylphosphinan-4-one (CID 122695411) is 2,2,6-triethyl-1-methyl-6-propylphosphinan-4-one.
What is the SMILES notation for 2,2,6-triethyl-1-methyl-6-propylphosphinan-4-one?
The canonical SMILES for 2,2,6-triethyl-1-methyl-6-propylphosphinan-4-one is CCCC1(CC)CC(=O)CC(CC)(CC)P1C.
What is the InChIKey of 2,2,6-triethyl-1-methyl-6-propylphosphinan-4-one?
The InChIKey is GZDKVCQFGDMMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29OP/c1-6-10-15(9-4)12-13(16)11-14(7-2,8-3)17(15)5/h6-12H2,1-5H3.
What are the key properties of 2,2,6-triethyl-1-methyl-6-propylphosphinan-4-one?
2,2,6-triethyl-1-methyl-6-propylphosphinan-4-one has a molecular weight of 256.37 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-triethyl-1-methyl-6-propylphosphinan-4-one is sourced from PubChem (CID 122695411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).