1-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3,2λ5-dioxaphosphinan-2-yl)ethanone

C10H19O4P — CID 23002020

IUPAC1-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3,2λ5-dioxaphosphinan-2-yl)ethanone
SMILESCC(=O)P1(=O)OCC(C)(C)C(C(C)C)O1
InChIInChI=1S/C10H19O4P/c1-7(2)9-10(4,5)6-13-15(12,14-9)8(3)11/h7,9H,6H2,1-5H3
InChIKeyXUOFISYIXCTVKD-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.82
Rot. Bonds2

About 1-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3,2λ5-dioxaphosphinan-2-yl)ethanone

1-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3,2λ5-dioxaphosphinan-2-yl)ethanone (PubChem CID 23002020) has the molecular formula C10H19O4P and a molecular weight of 234.23 g/mol. Its IUPAC name is 1-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3,2λ5-dioxaphosphinan-2-yl)ethanone.

Molecular Properties

Compound Name1-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3,2λ5-dioxaphosphinan-2-yl)ethanone
PubChem CID23002020
Molecular FormulaC10H19O4P
Molecular Weight234.23 g/mol
Exact Mass234.10
IUPAC Name1-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3,2λ5-dioxaphosphinan-2-yl)ethanone
SMILESCC(=O)P1(=O)OCC(C)(C)C(C(C)C)O1
InChIInChI=1S/C10H19O4P/c1-7(2)9-10(4,5)6-13-15(12,14-9)8(3)11/h7,9H,6H2,1-5H3
InChIKeyXUOFISYIXCTVKD-UHFFFAOYSA-N
XLogP2.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 169581510
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CID 12730263
CID 12730263
CID 23001991
CID 23001991
CID 23001992
CID 23001992
CID 23002053
CID 23002053
CID 23002121
CID 23002121
CID 23002128
CID 23002128
CID 23002136
CID 23002136
CID 23002156
CID 23002156
CID 23002181
CID 23002181
CID 23002195
CID 23002195

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3,2λ5-dioxaphosphinan-2-yl)ethanone?
The IUPAC name of 1-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3,2λ5-dioxaphosphinan-2-yl)ethanone (CID 23002020) is 1-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3,2λ5-dioxaphosphinan-2-yl)ethanone.
What is the SMILES notation for 1-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3,2λ5-dioxaphosphinan-2-yl)ethanone?
The canonical SMILES for 1-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3,2λ5-dioxaphosphinan-2-yl)ethanone is CC(=O)P1(=O)OCC(C)(C)C(C(C)C)O1.
What is the InChIKey of 1-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3,2λ5-dioxaphosphinan-2-yl)ethanone?
The InChIKey is XUOFISYIXCTVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O4P/c1-7(2)9-10(4,5)6-13-15(12,14-9)8(3)11/h7,9H,6H2,1-5H3.
What are the key properties of 1-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3,2λ5-dioxaphosphinan-2-yl)ethanone?
1-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3,2λ5-dioxaphosphinan-2-yl)ethanone has a molecular weight of 234.23 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3,2λ5-dioxaphosphinan-2-yl)ethanone is sourced from PubChem (CID 23002020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).