2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol

C8H17O5P — CID 118410329

IUPAC2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol
SMILESCC(C)(CO)COP1(=O)COCCO1
InChIInChI=1S/C8H17O5P/c1-8(2,5-9)6-13-14(10)7-11-3-4-12-14/h9H,3-7H2,1-2H3
InChIKeyLQTAUIKVQSCMER-UHFFFAOYSA-N
MW224.19 g/mol
LogP1.22
Rot. Bonds4

About 2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol

2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol (PubChem CID 118410329) has the molecular formula C8H17O5P and a molecular weight of 224.19 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol
PubChem CID118410329
Molecular FormulaC8H17O5P
Molecular Weight224.19 g/mol
Exact Mass224.08
IUPAC Name2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol
SMILESCC(C)(CO)COP1(=O)COCCO1
InChIInChI=1S/C8H17O5P/c1-8(2,5-9)6-13-14(10)7-11-3-4-12-14/h9H,3-7H2,1-2H3
InChIKeyLQTAUIKVQSCMER-UHFFFAOYSA-N
XLogP1.22
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol 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
2-[2-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]propoxy]ethanol
CID 53877344
3-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]butan-2-ol
CID 54558492
[5-(Hydroxymethyl)-2-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl]methanol
CID 85777673
[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
[1-(3-Hydroxy-2,2-dimethylpropoxy)-2-methylpropan-2-yl] dihydrogen phosphate
CID 89018980
Diethoxyphosphoryl-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methanol
CID 89136477
[5-Methyl-2-(2-methylpropyl)-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl]methanol
CID 89798232
(2-Butyl-5-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl)methanol
CID 89798233
[5-(2-Methoxyethyl)-2-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl]methanol
CID 89798242

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol (CID 118410329) is 2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol is CC(C)(CO)COP1(=O)COCCO1.
What is the InChIKey of 2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol?
The InChIKey is LQTAUIKVQSCMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O5P/c1-8(2,5-9)6-13-14(10)7-11-3-4-12-14/h9H,3-7H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol?
2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol has a molecular weight of 224.19 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol is sourced from PubChem (CID 118410329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).