1-dimethylphosphoryl-4-methylpentan-2-one

C8H17O2P — CID 20584312

IUPAC1-dimethylphosphoryl-4-methylpentan-2-one
SMILESCC(C)CC(=O)CP(C)(C)=O
InChIInChI=1S/C8H17O2P/c1-7(2)5-8(9)6-11(3,4)10/h7H,5-6H2,1-4H3
InChIKeyYRYHAHDCKLWBRE-UHFFFAOYSA-N
MW176.20 g/mol
LogP2.22
Rot. Bonds4

About 1-dimethylphosphoryl-4-methylpentan-2-one

1-dimethylphosphoryl-4-methylpentan-2-one (PubChem CID 20584312) has the molecular formula C8H17O2P and a molecular weight of 176.20 g/mol. Its IUPAC name is 1-dimethylphosphoryl-4-methylpentan-2-one.

Molecular Properties

Compound Name1-dimethylphosphoryl-4-methylpentan-2-one
PubChem CID20584312
Molecular FormulaC8H17O2P
Molecular Weight176.20 g/mol
Exact Mass176.10
IUPAC Name1-dimethylphosphoryl-4-methylpentan-2-one
SMILESCC(C)CC(=O)CP(C)(C)=O
InChIInChI=1S/C8H17O2P/c1-7(2)5-8(9)6-11(3,4)10/h7H,5-6H2,1-4H3
InChIKeyYRYHAHDCKLWBRE-UHFFFAOYSA-N
XLogP2.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-dimethylphosphoryl-4-methylpentan-2-one?
The IUPAC name of 1-dimethylphosphoryl-4-methylpentan-2-one (CID 20584312) is 1-dimethylphosphoryl-4-methylpentan-2-one.
What is the SMILES notation for 1-dimethylphosphoryl-4-methylpentan-2-one?
The canonical SMILES for 1-dimethylphosphoryl-4-methylpentan-2-one is CC(C)CC(=O)CP(C)(C)=O.
What is the InChIKey of 1-dimethylphosphoryl-4-methylpentan-2-one?
The InChIKey is YRYHAHDCKLWBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O2P/c1-7(2)5-8(9)6-11(3,4)10/h7H,5-6H2,1-4H3.
What are the key properties of 1-dimethylphosphoryl-4-methylpentan-2-one?
1-dimethylphosphoryl-4-methylpentan-2-one has a molecular weight of 176.20 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethylphosphoryl-4-methylpentan-2-one is sourced from PubChem (CID 20584312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).