2,2-dimethyl-1-(4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propan-1-one

C9H17O4P — CID 23002221

IUPAC2,2-dimethyl-1-(4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propan-1-one
SMILESCC1CCOP(=O)(C(=O)C(C)(C)C)O1
InChIInChI=1S/C9H17O4P/c1-7-5-6-12-14(11,13-7)8(10)9(2,3)4/h7H,5-6H2,1-4H3
InChIKeyZZLNXZMUTLGBMZ-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.58
Rot. Bonds1

About 2,2-dimethyl-1-(4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propan-1-one

2,2-dimethyl-1-(4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propan-1-one (PubChem CID 23002221) has the molecular formula C9H17O4P and a molecular weight of 220.20 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propan-1-one
PubChem CID23002221
Molecular FormulaC9H17O4P
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name2,2-dimethyl-1-(4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propan-1-one
SMILESCC1CCOP(=O)(C(=O)C(C)(C)C)O1
InChIInChI=1S/C9H17O4P/c1-7-5-6-12-14(11,13-7)8(10)9(2,3)4/h7H,5-6H2,1-4H3
InChIKeyZZLNXZMUTLGBMZ-UHFFFAOYSA-N
XLogP2.58
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.58
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 2,2-dimethyl-1-(4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propan-1-one (CID 23002221) is 2,2-dimethyl-1-(4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propan-1-one is CC1CCOP(=O)(C(=O)C(C)(C)C)O1.
What is the InChIKey of 2,2-dimethyl-1-(4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propan-1-one?
The InChIKey is ZZLNXZMUTLGBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O4P/c1-7-5-6-12-14(11,13-7)8(10)9(2,3)4/h7H,5-6H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propan-1-one?
2,2-dimethyl-1-(4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propan-1-one has a molecular weight of 220.20 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propan-1-one is sourced from PubChem (CID 23002221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).