5,5-dimethyl-2-phenyl-1,3,2lambda5-dioxaphosphinane 2-oxide

C11H15O3P — CID 522895

IUPAC5,5-dimethyl-2-phenyl-1,3,2lambda5-dioxaphosphinane 2-oxide
SMILESCC1(C)COP(=O)(c2ccccc2)OC1
InChIInChI=1S/C11H15O3P/c1-11(2)8-13-15(12,14-9-11)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyIBGSBHZFACCHSP-UHFFFAOYSA-N
MW226.21 g/mol
LogP2.58
Rot. Bonds1

About 5,5-dimethyl-2-phenyl-1,3,2lambda5-dioxaphosphinane 2-oxide

5,5-dimethyl-2-phenyl-1,3,2lambda5-dioxaphosphinane 2-oxide (PubChem CID 522895) has the molecular formula C11H15O3P and a molecular weight of 226.21 g/mol. Its IUPAC name is 5,5-dimethyl-2-phenyl-1,3,2lambda5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name5,5-dimethyl-2-phenyl-1,3,2lambda5-dioxaphosphinane 2-oxide
PubChem CID522895
Molecular FormulaC11H15O3P
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name5,5-dimethyl-2-phenyl-1,3,2lambda5-dioxaphosphinane 2-oxide
SMILESCC1(C)COP(=O)(c2ccccc2)OC1
InChIInChI=1S/C11H15O3P/c1-11(2)8-13-15(12,14-9-11)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyIBGSBHZFACCHSP-UHFFFAOYSA-N
XLogP2.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 52.58
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 5,5-dimethyl-2-phenyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The IUPAC name of 5,5-dimethyl-2-phenyl-1,3,2lambda5-dioxaphosphinane 2-oxide (CID 522895) is 5,5-dimethyl-2-phenyl-1,3,2lambda5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 5,5-dimethyl-2-phenyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The canonical SMILES for 5,5-dimethyl-2-phenyl-1,3,2lambda5-dioxaphosphinane 2-oxide is CC1(C)COP(=O)(c2ccccc2)OC1.
What is the InChIKey of 5,5-dimethyl-2-phenyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The InChIKey is IBGSBHZFACCHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O3P/c1-11(2)8-13-15(12,14-9-11)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3.
What are the key properties of 5,5-dimethyl-2-phenyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
5,5-dimethyl-2-phenyl-1,3,2lambda5-dioxaphosphinane 2-oxide has a molecular weight of 226.21 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-phenyl-1,3,2lambda5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 522895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).