2,4-dimethyl-1-phenylphosphetane

C11H15P — CID 23418540

IUPAC2,4-dimethyl-1-phenylphosphetane
SMILESCC1CC(C)P1c1ccccc1
InChIInChI=1S/C11H15P/c1-9-8-10(2)12(9)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChIKeyKKJBIRWGVFQBLC-UHFFFAOYSA-N
MW178.22 g/mol
LogP2.97
Rot. Bonds1

About 2,4-dimethyl-1-phenylphosphetane

2,4-dimethyl-1-phenylphosphetane (PubChem CID 23418540) has the molecular formula C11H15P and a molecular weight of 178.22 g/mol. Its IUPAC name is 2,4-dimethyl-1-phenylphosphetane.

Molecular Properties

Compound Name2,4-dimethyl-1-phenylphosphetane
PubChem CID23418540
Molecular FormulaC11H15P
Molecular Weight178.22 g/mol
Exact Mass178.09
IUPAC Name2,4-dimethyl-1-phenylphosphetane
SMILESCC1CC(C)P1c1ccccc1
InChIInChI=1S/C11H15P/c1-9-8-10(2)12(9)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChIKeyKKJBIRWGVFQBLC-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-phenylphosphetane?
The IUPAC name of 2,4-dimethyl-1-phenylphosphetane (CID 23418540) is 2,4-dimethyl-1-phenylphosphetane.
What is the SMILES notation for 2,4-dimethyl-1-phenylphosphetane?
The canonical SMILES for 2,4-dimethyl-1-phenylphosphetane is CC1CC(C)P1c1ccccc1.
What is the InChIKey of 2,4-dimethyl-1-phenylphosphetane?
The InChIKey is KKJBIRWGVFQBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15P/c1-9-8-10(2)12(9)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 2,4-dimethyl-1-phenylphosphetane?
2,4-dimethyl-1-phenylphosphetane has a molecular weight of 178.22 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-phenylphosphetane is sourced from PubChem (CID 23418540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).