2-[2-[tert-butyl-[2-(2-hydroxyethoxy)ethoxy]phosphoryl]oxyethoxy]ethanol

C12H27O7P — CID 88576728

IUPAC2-[2-[tert-butyl-[2-(2-hydroxyethoxy)ethoxy]phosphoryl]oxyethoxy]ethanol
SMILESCC(C)(C)P(=O)(OCCOCCO)OCCOCCO
InChIInChI=1S/C12H27O7P/c1-12(2,3)20(15,18-10-8-16-6-4-13)19-11-9-17-7-5-14/h13-14H,4-11H2,1-3H3
InChIKeyBEQJZJNQOVACKO-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.03
Rot. Bonds12

About 2-[2-[tert-butyl-[2-(2-hydroxyethoxy)ethoxy]phosphoryl]oxyethoxy]ethanol

2-[2-[tert-butyl-[2-(2-hydroxyethoxy)ethoxy]phosphoryl]oxyethoxy]ethanol (PubChem CID 88576728) has the molecular formula C12H27O7P and a molecular weight of 314.32 g/mol. Its IUPAC name is 2-[2-[tert-butyl-[2-(2-hydroxyethoxy)ethoxy]phosphoryl]oxyethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[tert-butyl-[2-(2-hydroxyethoxy)ethoxy]phosphoryl]oxyethoxy]ethanol
PubChem CID88576728
Molecular FormulaC12H27O7P
Molecular Weight314.32 g/mol
Exact Mass314.15
IUPAC Name2-[2-[tert-butyl-[2-(2-hydroxyethoxy)ethoxy]phosphoryl]oxyethoxy]ethanol
SMILESCC(C)(C)P(=O)(OCCOCCO)OCCOCCO
InChIInChI=1S/C12H27O7P/c1-12(2,3)20(15,18-10-8-16-6-4-13)19-11-9-17-7-5-14/h13-14H,4-11H2,1-3H3
InChIKeyBEQJZJNQOVACKO-UHFFFAOYSA-N
XLogP1.03
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[tert-butyl-[2-(2-hydroxyethoxy)ethoxy]phosphoryl]oxyethoxy]ethanol?
The IUPAC name of 2-[2-[tert-butyl-[2-(2-hydroxyethoxy)ethoxy]phosphoryl]oxyethoxy]ethanol (CID 88576728) is 2-[2-[tert-butyl-[2-(2-hydroxyethoxy)ethoxy]phosphoryl]oxyethoxy]ethanol.
What is the SMILES notation for 2-[2-[tert-butyl-[2-(2-hydroxyethoxy)ethoxy]phosphoryl]oxyethoxy]ethanol?
The canonical SMILES for 2-[2-[tert-butyl-[2-(2-hydroxyethoxy)ethoxy]phosphoryl]oxyethoxy]ethanol is CC(C)(C)P(=O)(OCCOCCO)OCCOCCO.
What is the InChIKey of 2-[2-[tert-butyl-[2-(2-hydroxyethoxy)ethoxy]phosphoryl]oxyethoxy]ethanol?
The InChIKey is BEQJZJNQOVACKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O7P/c1-12(2,3)20(15,18-10-8-16-6-4-13)19-11-9-17-7-5-14/h13-14H,4-11H2,1-3H3.
What are the key properties of 2-[2-[tert-butyl-[2-(2-hydroxyethoxy)ethoxy]phosphoryl]oxyethoxy]ethanol?
2-[2-[tert-butyl-[2-(2-hydroxyethoxy)ethoxy]phosphoryl]oxyethoxy]ethanol has a molecular weight of 314.32 g/mol, XLogP of 1.03, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[tert-butyl-[2-(2-hydroxyethoxy)ethoxy]phosphoryl]oxyethoxy]ethanol is sourced from PubChem (CID 88576728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).