2-[tert-butyl(2-hydroxyethyl)phosphoryl]oxyethanol

C8H19O4P — CID 88881831

IUPAC2-[tert-butyl(2-hydroxyethyl)phosphoryl]oxyethanol
SMILESCC(C)(C)P(=O)(CCO)OCCO
InChIInChI=1S/C8H19O4P/c1-8(2,3)13(11,7-5-10)12-6-4-9/h9-10H,4-7H2,1-3H3
InChIKeyOJNKMNFZITVEIM-UHFFFAOYSA-N
MW210.21 g/mol
LogP1.06
Rot. Bonds5

About 2-[tert-butyl(2-hydroxyethyl)phosphoryl]oxyethanol

2-[tert-butyl(2-hydroxyethyl)phosphoryl]oxyethanol (PubChem CID 88881831) has the molecular formula C8H19O4P and a molecular weight of 210.21 g/mol. Its IUPAC name is 2-[tert-butyl(2-hydroxyethyl)phosphoryl]oxyethanol.

Molecular Properties

Compound Name2-[tert-butyl(2-hydroxyethyl)phosphoryl]oxyethanol
PubChem CID88881831
Molecular FormulaC8H19O4P
Molecular Weight210.21 g/mol
Exact Mass210.10
IUPAC Name2-[tert-butyl(2-hydroxyethyl)phosphoryl]oxyethanol
SMILESCC(C)(C)P(=O)(CCO)OCCO
InChIInChI=1S/C8H19O4P/c1-8(2,3)13(11,7-5-10)12-6-4-9/h9-10H,4-7H2,1-3H3
InChIKeyOJNKMNFZITVEIM-UHFFFAOYSA-N
XLogP1.06
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl dihydrogen phosphate;phosphoric acid
CID 155226574
2-[hydroxy(2-hydroxyethoxy)phosphoryl]ethylphosphonic acid
CID 175439320
2-hydroxyethoxy-N-methylphosphonamidic acid
CID 123741981
tert-butyl 2-[2-[2-[2-[2-[2-[hydroxy(2-hydroxyethoxy)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen phosphate
CID 165033493
dicalcium;hydride;2-hydroxyethyl dihydrogen phosphate
CID 174231614
ethene;2-hydroxyethyl dihydrogen phosphate
CID 173023199
tris(5-hydroxy-3,3-dimethylpentyl) phosphate
CID 139533089
2-hydroxyethyl 3-[2-hydroxyethoxy(methyl)phosphoryl]propanoate
CID 11424970
2-hydroxyethoxy(tetradecyl)phosphinate
CID 71443061
2-hydroxyethyl ditridecyl phosphate
CID 86141691
decyl 2-hydroxyethyl propyl phosphate
CID 151935129
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 138625033

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(2-hydroxyethyl)phosphoryl]oxyethanol?
The IUPAC name of 2-[tert-butyl(2-hydroxyethyl)phosphoryl]oxyethanol (CID 88881831) is 2-[tert-butyl(2-hydroxyethyl)phosphoryl]oxyethanol.
What is the SMILES notation for 2-[tert-butyl(2-hydroxyethyl)phosphoryl]oxyethanol?
The canonical SMILES for 2-[tert-butyl(2-hydroxyethyl)phosphoryl]oxyethanol is CC(C)(C)P(=O)(CCO)OCCO.
What is the InChIKey of 2-[tert-butyl(2-hydroxyethyl)phosphoryl]oxyethanol?
The InChIKey is OJNKMNFZITVEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O4P/c1-8(2,3)13(11,7-5-10)12-6-4-9/h9-10H,4-7H2,1-3H3.
What are the key properties of 2-[tert-butyl(2-hydroxyethyl)phosphoryl]oxyethanol?
2-[tert-butyl(2-hydroxyethyl)phosphoryl]oxyethanol has a molecular weight of 210.21 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(2-hydroxyethyl)phosphoryl]oxyethanol is sourced from PubChem (CID 88881831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).