2,2,2-tris(hydroxymethoxy)ethanol

C5H12O7 — CID 102144290

IUPAC2,2,2-tris(hydroxymethoxy)ethanol
SMILESOCOC(CO)(OCO)OCO
InChIInChI=1S/C5H12O7/c6-1-5(10-2-7,11-3-8)12-4-9/h6-9H,1-4H2
InChIKeyBWWKJOVHZBSYKA-UHFFFAOYSA-N
MW184.14 g/mol
LogP-2.47
Rot. Bonds7

About 2,2,2-tris(hydroxymethoxy)ethanol

2,2,2-tris(hydroxymethoxy)ethanol (PubChem CID 102144290) has the molecular formula C5H12O7 and a molecular weight of 184.14 g/mol. Its IUPAC name is 2,2,2-tris(hydroxymethoxy)ethanol.

Molecular Properties

Compound Name2,2,2-tris(hydroxymethoxy)ethanol
PubChem CID102144290
Molecular FormulaC5H12O7
Molecular Weight184.14 g/mol
Exact Mass184.06
IUPAC Name2,2,2-tris(hydroxymethoxy)ethanol
SMILESOCOC(CO)(OCO)OCO
InChIInChI=1S/C5H12O7/c6-1-5(10-2-7,11-3-8)12-4-9/h6-9H,1-4H2
InChIKeyBWWKJOVHZBSYKA-UHFFFAOYSA-N
XLogP-2.47
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.14
LogP ≤ 5-2.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-Diethoxyethanol
CID 12129
Dimethylol glycol
CID 62511
Ethanol, 2-(methoxymethoxy)-
CID 20567
2,2-Dimethoxyethanol
CID 542381
Ethanol, 2,2'-(methylenebis(oxy))bis-
CID 75721
2-(Hydroxymethoxy)ethanol
CID 3014716
2,2,2-Trimethoxyethanol
CID 21183450
2-(2,2-Dimethoxyethoxy)ethan-1-ol
CID 19736275
2-(Propoxymethoxy)ethanol
CID 46912115
1-(2-Hydroxyethoxy)ethane-1,2-diol
CID 57303626
1,2-Bis(2-hydroxyethoxy)ethanol
CID 161805058
Hydroxyethyl methyl carbonate
CID 11615161

Frequently Asked Questions

What is the IUPAC name of 2,2,2-tris(hydroxymethoxy)ethanol?
The IUPAC name of 2,2,2-tris(hydroxymethoxy)ethanol (CID 102144290) is 2,2,2-tris(hydroxymethoxy)ethanol.
What is the SMILES notation for 2,2,2-tris(hydroxymethoxy)ethanol?
The canonical SMILES for 2,2,2-tris(hydroxymethoxy)ethanol is OCOC(CO)(OCO)OCO.
What is the InChIKey of 2,2,2-tris(hydroxymethoxy)ethanol?
The InChIKey is BWWKJOVHZBSYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O7/c6-1-5(10-2-7,11-3-8)12-4-9/h6-9H,1-4H2.
What are the key properties of 2,2,2-tris(hydroxymethoxy)ethanol?
2,2,2-tris(hydroxymethoxy)ethanol has a molecular weight of 184.14 g/mol, XLogP of -2.47, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-tris(hydroxymethoxy)ethanol is sourced from PubChem (CID 102144290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).