1-[bis(2,2-dimethylpropanoyl)phosphoryl]-2,2-dimethylpropan-1-one

C15H27O4P — CID 19696892

IUPAC1-[bis(2,2-dimethylpropanoyl)phosphoryl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)P(=O)(C(=O)C(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C15H27O4P/c1-13(2,3)10(16)20(19,11(17)14(4,5)6)12(18)15(7,8)9/h1-9H3
InChIKeyAATRZHMYRLXNKH-UHFFFAOYSA-N
MW302.35 g/mol
LogP4.07
Rot. Bonds3

About 1-[bis(2,2-dimethylpropanoyl)phosphoryl]-2,2-dimethylpropan-1-one

1-[bis(2,2-dimethylpropanoyl)phosphoryl]-2,2-dimethylpropan-1-one (PubChem CID 19696892) has the molecular formula C15H27O4P and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-[bis(2,2-dimethylpropanoyl)phosphoryl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[bis(2,2-dimethylpropanoyl)phosphoryl]-2,2-dimethylpropan-1-one
PubChem CID19696892
Molecular FormulaC15H27O4P
Molecular Weight302.35 g/mol
Exact Mass302.16
IUPAC Name1-[bis(2,2-dimethylpropanoyl)phosphoryl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)P(=O)(C(=O)C(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C15H27O4P/c1-13(2,3)10(16)20(19,11(17)14(4,5)6)12(18)15(7,8)9/h1-9H3
InChIKeyAATRZHMYRLXNKH-UHFFFAOYSA-N
XLogP4.07
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(2,2-dimethylpropanoyl)phosphoryl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[bis(2,2-dimethylpropanoyl)phosphoryl]-2,2-dimethylpropan-1-one (CID 19696892) is 1-[bis(2,2-dimethylpropanoyl)phosphoryl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[bis(2,2-dimethylpropanoyl)phosphoryl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[bis(2,2-dimethylpropanoyl)phosphoryl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)P(=O)(C(=O)C(C)(C)C)C(=O)C(C)(C)C.
What is the InChIKey of 1-[bis(2,2-dimethylpropanoyl)phosphoryl]-2,2-dimethylpropan-1-one?
The InChIKey is AATRZHMYRLXNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27O4P/c1-13(2,3)10(16)20(19,11(17)14(4,5)6)12(18)15(7,8)9/h1-9H3.
What are the key properties of 1-[bis(2,2-dimethylpropanoyl)phosphoryl]-2,2-dimethylpropan-1-one?
1-[bis(2,2-dimethylpropanoyl)phosphoryl]-2,2-dimethylpropan-1-one has a molecular weight of 302.35 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2,2-dimethylpropanoyl)phosphoryl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 19696892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).