2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol;methane

C9H21O5P — CID 159062871

IUPAC2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol;methane
SMILESC.CC1(C)COP(=O)(COCCO)OC1
InChIInChI=1S/C8H17O5P.CH4/c1-8(2)5-12-14(10,13-6-8)7-11-4-3-9;/h9H,3-7H2,1-2H3;1H4
InChIKeyJYRQDIMEEXQFKD-UHFFFAOYSA-N
MW240.24 g/mol
LogP1.86
Rot. Bonds4

About 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol;methane

2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol;methane (PubChem CID 159062871) has the molecular formula C9H21O5P and a molecular weight of 240.24 g/mol. Its IUPAC name is 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol;methane.

Molecular Properties

Compound Name2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol;methane
PubChem CID159062871
Molecular FormulaC9H21O5P
Molecular Weight240.24 g/mol
Exact Mass240.11
IUPAC Name2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol;methane
SMILESC.CC1(C)COP(=O)(COCCO)OC1
InChIInChI=1S/C8H17O5P.CH4/c1-8(2)5-12-14(10,13-6-8)7-11-4-3-9;/h9H,3-7H2,1-2H3;1H4
InChIKeyJYRQDIMEEXQFKD-UHFFFAOYSA-N
XLogP1.86
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,2-Dioxaphosphorinane, 2-(2-methoxyethoxy)-5,5-dimethyl-, 2-oxide
CID 547076
2-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]propan-1-ol
CID 11241567
1-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]propan-2-ol
CID 11368084
2-[2-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]butoxy]ethanol
CID 53694405
2-[2-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]propoxy]ethanol
CID 53877344
1-[2-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]butoxy]propan-2-ol
CID 53948029
2-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]ethanol
CID 54233721
3-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]butan-2-ol
CID 54558492
2-[2,2-Dimethylpropoxy(methyl)phosphoryl]oxyethanol
CID 87119910
[5-(Ethoxymethyl)-2-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl]methanol
CID 87171829
[5-(Ethoxymethyl)-2-(2-methoxyethyl)-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl]methanol
CID 88560571
2-[2-[Tert-butyl-[2-(2-hydroxyethoxy)ethoxy]phosphoryl]oxyethoxy]ethanol
CID 88576728

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol;methane?
The IUPAC name of 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol;methane (CID 159062871) is 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol;methane.
What is the SMILES notation for 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol;methane?
The canonical SMILES for 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol;methane is C.CC1(C)COP(=O)(COCCO)OC1.
What is the InChIKey of 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol;methane?
The InChIKey is JYRQDIMEEXQFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O5P.CH4/c1-8(2)5-12-14(10,13-6-8)7-11-4-3-9;/h9H,3-7H2,1-2H3;1H4.
What are the key properties of 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol;methane?
2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol;methane has a molecular weight of 240.24 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol;methane is sourced from PubChem (CID 159062871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).