3-(1,4,2-dioxaphosphinan-2-yloxy)-2,2-dimethylpropan-1-ol

C8H17O4P — CID 163675035

IUPAC3-(1,4,2-dioxaphosphinan-2-yloxy)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)COP1COCCO1
InChIInChI=1S/C8H17O4P/c1-8(2,5-9)6-12-13-7-10-3-4-11-13/h9H,3-7H2,1-2H3
InChIKeyJFXMEGLQARMBJT-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.34
Rot. Bonds4

About 3-(1,4,2-dioxaphosphinan-2-yloxy)-2,2-dimethylpropan-1-ol

3-(1,4,2-dioxaphosphinan-2-yloxy)-2,2-dimethylpropan-1-ol (PubChem CID 163675035) has the molecular formula C8H17O4P and a molecular weight of 208.19 g/mol. Its IUPAC name is 3-(1,4,2-dioxaphosphinan-2-yloxy)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(1,4,2-dioxaphosphinan-2-yloxy)-2,2-dimethylpropan-1-ol
PubChem CID163675035
Molecular FormulaC8H17O4P
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name3-(1,4,2-dioxaphosphinan-2-yloxy)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)COP1COCCO1
InChIInChI=1S/C8H17O4P/c1-8(2,5-9)6-12-13-7-10-3-4-11-13/h9H,3-7H2,1-2H3
InChIKeyJFXMEGLQARMBJT-UHFFFAOYSA-N
XLogP1.34
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1,3,2-Dioxaphosphorinane, 2-(2-methoxyethoxy)-5,5-dimethyl-
CID 591931
[5-(Ethoxymethyl)-2-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl]methanol
CID 87171829
2-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methoxy]ethanol
CID 117886630
2,2-Dimethyl-3-[(2-oxo-1,4,2lambda5-dioxaphosphinan-2-yl)oxy]propan-1-ol
CID 118410329
3-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methoxy]propan-1-ol
CID 123925120
3-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methoxy]butan-2-ol
CID 130347215
2-[(5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl)methoxy]ethanol
CID 132149774
2-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methoxy]ethanol;methane
CID 159062871
2-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methoxy]ethanol
CID 163771916

Frequently Asked Questions

What is the IUPAC name of 3-(1,4,2-dioxaphosphinan-2-yloxy)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(1,4,2-dioxaphosphinan-2-yloxy)-2,2-dimethylpropan-1-ol (CID 163675035) is 3-(1,4,2-dioxaphosphinan-2-yloxy)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(1,4,2-dioxaphosphinan-2-yloxy)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(1,4,2-dioxaphosphinan-2-yloxy)-2,2-dimethylpropan-1-ol is CC(C)(CO)COP1COCCO1.
What is the InChIKey of 3-(1,4,2-dioxaphosphinan-2-yloxy)-2,2-dimethylpropan-1-ol?
The InChIKey is JFXMEGLQARMBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O4P/c1-8(2,5-9)6-12-13-7-10-3-4-11-13/h9H,3-7H2,1-2H3.
What are the key properties of 3-(1,4,2-dioxaphosphinan-2-yloxy)-2,2-dimethylpropan-1-ol?
3-(1,4,2-dioxaphosphinan-2-yloxy)-2,2-dimethylpropan-1-ol has a molecular weight of 208.19 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4,2-dioxaphosphinan-2-yloxy)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 163675035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).