1-(4,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one

C10H19O4P — CID 23002053

IUPAC1-(4,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one
SMILESCC1CC(C)OP(=O)(C(=O)C(C)(C)C)O1
InChIInChI=1S/C10H19O4P/c1-7-6-8(2)14-15(12,13-7)9(11)10(3,4)5/h7-8H,6H2,1-5H3
InChIKeySQBQIENTLZHKQG-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.97
Rot. Bonds1

About 1-(4,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one

1-(4,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one (PubChem CID 23002053) has the molecular formula C10H19O4P and a molecular weight of 234.23 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one
PubChem CID23002053
Molecular FormulaC10H19O4P
Molecular Weight234.23 g/mol
Exact Mass234.10
IUPAC Name1-(4,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one
SMILESCC1CC(C)OP(=O)(C(=O)C(C)(C)C)O1
InChIInChI=1S/C10H19O4P/c1-7-6-8(2)14-15(12,13-7)9(11)10(3,4)5/h7-8H,6H2,1-5H3
InChIKeySQBQIENTLZHKQG-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
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-(4,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(4,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one (CID 23002053) is 1-(4,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(4,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(4,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one is CC1CC(C)OP(=O)(C(=O)C(C)(C)C)O1.
What is the InChIKey of 1-(4,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one?
The InChIKey is SQBQIENTLZHKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O4P/c1-7-6-8(2)14-15(12,13-7)9(11)10(3,4)5/h7-8H,6H2,1-5H3.
What are the key properties of 1-(4,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one?
1-(4,6-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 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 23002053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).