2-(2,2-dimethylpropoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane

C10H21O3P — CID 152752426

IUPAC2-(2,2-dimethylpropoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane
SMILESCC(C)(C)COP1OCC(C)(C)CO1
InChIInChI=1S/C10H21O3P/c1-9(2,3)6-11-14-12-7-10(4,5)8-13-14/h6-8H2,1-5H3
InChIKeyKLCJCWJQPQKGOS-UHFFFAOYSA-N
MW220.25 g/mol
LogP3.35
Rot. Bonds2

About 2-(2,2-dimethylpropoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane

2-(2,2-dimethylpropoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane (PubChem CID 152752426) has the molecular formula C10H21O3P and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-(2,2-dimethylpropoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane.

Molecular Properties

Compound Name2-(2,2-dimethylpropoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane
PubChem CID152752426
Molecular FormulaC10H21O3P
Molecular Weight220.25 g/mol
Exact Mass220.12
IUPAC Name2-(2,2-dimethylpropoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane
SMILESCC(C)(C)COP1OCC(C)(C)CO1
InChIInChI=1S/C10H21O3P/c1-9(2,3)6-11-14-12-7-10(4,5)8-13-14/h6-8H2,1-5H3
InChIKeyKLCJCWJQPQKGOS-UHFFFAOYSA-N
XLogP3.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 53.35
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 2-(2,2-dimethylpropoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane?
The IUPAC name of 2-(2,2-dimethylpropoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane (CID 152752426) is 2-(2,2-dimethylpropoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane.
What is the SMILES notation for 2-(2,2-dimethylpropoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane?
The canonical SMILES for 2-(2,2-dimethylpropoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane is CC(C)(C)COP1OCC(C)(C)CO1.
What is the InChIKey of 2-(2,2-dimethylpropoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane?
The InChIKey is KLCJCWJQPQKGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O3P/c1-9(2,3)6-11-14-12-7-10(4,5)8-13-14/h6-8H2,1-5H3.
What are the key properties of 2-(2,2-dimethylpropoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane?
2-(2,2-dimethylpropoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane has a molecular weight of 220.25 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane is sourced from PubChem (CID 152752426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).