1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one

C10H19O4P — CID 23002112

IUPAC1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one
SMILESCC1(C)COP(=O)(C(=O)C(C)(C)C)OC1
InChIInChI=1S/C10H19O4P/c1-9(2,3)8(11)15(12)13-6-10(4,5)7-14-15/h6-7H2,1-5H3
InChIKeyWTKQYNPVXAUUKC-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.83
Rot. Bonds1

About 1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one

1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one (PubChem CID 23002112) has the molecular formula C10H19O4P and a molecular weight of 234.23 g/mol. Its IUPAC name is 1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one
PubChem CID23002112
Molecular FormulaC10H19O4P
Molecular Weight234.23 g/mol
Exact Mass234.10
IUPAC Name1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one
SMILESCC1(C)COP(=O)(C(=O)C(C)(C)C)OC1
InChIInChI=1S/C10H19O4P/c1-9(2,3)8(11)15(12)13-6-10(4,5)7-14-15/h6-7H2,1-5H3
InChIKeyWTKQYNPVXAUUKC-UHFFFAOYSA-N
XLogP2.83
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

Phosphonic acid, (2-methyl-1-oxopropyl)-, diethyl ester
CID 2752001
2-Acetonyl-5,5-dimethyl-2-oxo-1,3,2-dioxaphosphorinane
CID 13902891
1-(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-3-methylbutan-2-one
CID 121443929
(5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl) diethyl phosphate
CID 371770
5,5-Dimethyl-2-propyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 14892818
Phosphonic acid, (2,2-dimethyl-1-oxopropyl)-, diethyl ester
CID 4581206
2-Butyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 14892819
2-Tert-butyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 23261978
2-(Dibutoxyphosphorylmethoxy)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 57641090
2-Butoxy-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 70914809
5,5-Dimethyl-2-propan-2-yl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 86196070
1-[2,2-Dimethylpropanoyl(ethoxy)phosphoryl]-2,2-dimethylpropan-1-one
CID 4489228

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one (CID 23002112) is 1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one is CC1(C)COP(=O)(C(=O)C(C)(C)C)OC1.
What is the InChIKey of 1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one?
The InChIKey is WTKQYNPVXAUUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O4P/c1-9(2,3)8(11)15(12)13-6-10(4,5)7-14-15/h6-7H2,1-5H3.
What are the key properties of 1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one?
1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one has a molecular weight of 234.23 g/mol, XLogP of 2.83, 1 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-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 23002112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).