2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propan-2-ol

C8H17O4P — CID 54110956

IUPAC2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propan-2-ol
SMILESCC1(C)COP(=O)(C(C)(C)O)OC1
InChIInChI=1S/C8H17O4P/c1-7(2)5-11-13(10,12-6-7)8(3,4)9/h9H,5-6H2,1-4H3
InChIKeyNHAZGGKOGUUUSH-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.98
Rot. Bonds1

About 2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propan-2-ol

2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propan-2-ol (PubChem CID 54110956) has the molecular formula C8H17O4P and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propan-2-ol
PubChem CID54110956
Molecular FormulaC8H17O4P
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propan-2-ol
SMILESCC1(C)COP(=O)(C(C)(C)O)OC1
InChIInChI=1S/C8H17O4P/c1-7(2)5-11-13(10,12-6-7)8(3,4)9/h9H,5-6H2,1-4H3
InChIKeyNHAZGGKOGUUUSH-UHFFFAOYSA-N
XLogP1.98
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.98
H-Bond Donors ≤ 51
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 2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propan-2-ol?
The IUPAC name of 2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propan-2-ol (CID 54110956) is 2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propan-2-ol.
What is the SMILES notation for 2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propan-2-ol?
The canonical SMILES for 2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propan-2-ol is CC1(C)COP(=O)(C(C)(C)O)OC1.
What is the InChIKey of 2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propan-2-ol?
The InChIKey is NHAZGGKOGUUUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O4P/c1-7(2)5-11-13(10,12-6-7)8(3,4)9/h9H,5-6H2,1-4H3.
What are the key properties of 2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propan-2-ol?
2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propan-2-ol has a molecular weight of 208.19 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)propan-2-ol is sourced from PubChem (CID 54110956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).