2-[2,2-dimethylpropoxy(methyl)phosphoryl]oxyethanol

C8H19O4P — CID 87119910

IUPAC2-[2,2-dimethylpropoxy(methyl)phosphoryl]oxyethanol
SMILESCC(C)(C)COP(C)(=O)OCCO
InChIInChI=1S/C8H19O4P/c1-8(2,3)7-12-13(4,10)11-6-5-9/h9H,5-7H2,1-4H3
InChIKeyXRWKIUJTZBENMD-UHFFFAOYSA-N
MW210.21 g/mol
LogP1.88
Rot. Bonds5

About 2-[2,2-dimethylpropoxy(methyl)phosphoryl]oxyethanol

2-[2,2-dimethylpropoxy(methyl)phosphoryl]oxyethanol (PubChem CID 87119910) has the molecular formula C8H19O4P and a molecular weight of 210.21 g/mol. Its IUPAC name is 2-[2,2-dimethylpropoxy(methyl)phosphoryl]oxyethanol.

Molecular Properties

Compound Name2-[2,2-dimethylpropoxy(methyl)phosphoryl]oxyethanol
PubChem CID87119910
Molecular FormulaC8H19O4P
Molecular Weight210.21 g/mol
Exact Mass210.10
IUPAC Name2-[2,2-dimethylpropoxy(methyl)phosphoryl]oxyethanol
SMILESCC(C)(C)COP(C)(=O)OCCO
InChIInChI=1S/C8H19O4P/c1-8(2,3)7-12-13(4,10)11-6-5-9/h9H,5-7H2,1-4H3
InChIKeyXRWKIUJTZBENMD-UHFFFAOYSA-N
XLogP1.88
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 51.88
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-[2,2-dimethylpropoxy(methyl)phosphoryl]oxyethanol?
The IUPAC name of 2-[2,2-dimethylpropoxy(methyl)phosphoryl]oxyethanol (CID 87119910) is 2-[2,2-dimethylpropoxy(methyl)phosphoryl]oxyethanol.
What is the SMILES notation for 2-[2,2-dimethylpropoxy(methyl)phosphoryl]oxyethanol?
The canonical SMILES for 2-[2,2-dimethylpropoxy(methyl)phosphoryl]oxyethanol is CC(C)(C)COP(C)(=O)OCCO.
What is the InChIKey of 2-[2,2-dimethylpropoxy(methyl)phosphoryl]oxyethanol?
The InChIKey is XRWKIUJTZBENMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O4P/c1-8(2,3)7-12-13(4,10)11-6-5-9/h9H,5-7H2,1-4H3.
What are the key properties of 2-[2,2-dimethylpropoxy(methyl)phosphoryl]oxyethanol?
2-[2,2-dimethylpropoxy(methyl)phosphoryl]oxyethanol has a molecular weight of 210.21 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethylpropoxy(methyl)phosphoryl]oxyethanol is sourced from PubChem (CID 87119910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).