1-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)propan-2-one

C8H15O3P — CID 10877931

IUPAC1-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)propan-2-one
SMILESCC(=O)CP1OCC(C)(C)CO1
InChIInChI=1S/C8H15O3P/c1-7(9)4-12-10-5-8(2,3)6-11-12/h4-6H2,1-3H3
InChIKeyLHRFEEVKGJQACW-UHFFFAOYSA-N
MW190.18 g/mol
LogP1.96
Rot. Bonds2

About 1-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)propan-2-one

1-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)propan-2-one (PubChem CID 10877931) has the molecular formula C8H15O3P and a molecular weight of 190.18 g/mol. Its IUPAC name is 1-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)propan-2-one
PubChem CID10877931
Molecular FormulaC8H15O3P
Molecular Weight190.18 g/mol
Exact Mass190.08
IUPAC Name1-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)propan-2-one
SMILESCC(=O)CP1OCC(C)(C)CO1
InChIInChI=1S/C8H15O3P/c1-7(9)4-12-10-5-8(2,3)6-11-12/h4-6H2,1-3H3
InChIKeyLHRFEEVKGJQACW-UHFFFAOYSA-N
XLogP1.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)propan-2-one?
The IUPAC name of 1-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)propan-2-one (CID 10877931) is 1-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)propan-2-one.
What is the SMILES notation for 1-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)propan-2-one?
The canonical SMILES for 1-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)propan-2-one is CC(=O)CP1OCC(C)(C)CO1.
What is the InChIKey of 1-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)propan-2-one?
The InChIKey is LHRFEEVKGJQACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O3P/c1-7(9)4-12-10-5-8(2,3)6-11-12/h4-6H2,1-3H3.
What are the key properties of 1-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)propan-2-one?
1-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)propan-2-one has a molecular weight of 190.18 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)propan-2-one is sourced from PubChem (CID 10877931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).