Neopentyl glycol diglycidyl ether

C11H20O4 — CID 28594

IUPAC2-[[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]methyl]oxirane
SMILESCC(C)(COCC1CO1)COCC2CO2
InChIInChI=1S/C11H20O4/c1-11(2,7-12-3-9-5-14-9)8-13-4-10-6-15-10/h9-10H,3-8H2,1-2H3
InChIKeyKUAUJXBLDYVELT-UHFFFAOYSA-N
MW216.27 g/mol
LogP0.50
Rot. Bonds8

About Neopentyl glycol diglycidyl ether

Neopentyl glycol diglycidyl ether (PubChem CID 28594) has the molecular formula C11H20O4 and a molecular weight of 216.27 g/mol. Its IUPAC name is 2-[[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]methyl]oxirane.

Molecular Properties

Compound NameNeopentyl glycol diglycidyl ether
PubChem CID28594
Molecular FormulaC11H20O4
Molecular Weight216.27 g/mol
Exact Mass216.14
IUPAC Name2-[[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]methyl]oxirane
SMILESCC(C)(COCC1CO1)COCC2CO2
InChIInChI=1S/C11H20O4/c1-11(2,7-12-3-9-5-14-9)8-13-4-10-6-15-10/h9-10H,3-8H2,1-2H3
InChIKeyKUAUJXBLDYVELT-UHFFFAOYSA-N
XLogP0.50
TPSA43.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity185

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Triethylene Glycol Diglycidyl Ether
CID 16058
Glycol diglycidyl ether
CID 16683
Triglycidylglycerol
CID 25795
Diethylene glycol diglycidyl ether
CID 351024
2,2'-(Oxybis((methyl-2,1-ethanediyl)oxymethylene))bis(oxirane)
CID 3034475
Ethylene glycol bis(2,3-epoxy-2-methylpropyl) ether
CID 235376
1,3-Bis(2,3-epoxypropoxy)butane
CID 97961
Propylene glycol diglycidyl ether homopolymer
CID 85959
1,3-Bis(2,3-epoxypropoxy)-2,2-bis((2,3-epoxypropoxy)methyl)propane
CID 76579
1-(2,3-Epoxypropoxy)-2,2-bis((2,3-epoxypropoxy)methyl)butane
CID 103015
Oxirane, 2,2'-(2,5,8,11,14-pentaoxapentadecane-1,15-diyl)bis-
CID 86596
Oxirane, 2,2'-[1,3-propanediylbis(oxymethylene)]bis-
CID 3081505

Frequently Asked Questions

What is the IUPAC name of Neopentyl glycol diglycidyl ether?
The IUPAC name of Neopentyl glycol diglycidyl ether (CID 28594) is 2-[[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]methyl]oxirane.
What is the SMILES notation for Neopentyl glycol diglycidyl ether?
The canonical SMILES for Neopentyl glycol diglycidyl ether is CC(C)(COCC1CO1)COCC2CO2.
What is the InChIKey of Neopentyl glycol diglycidyl ether?
The InChIKey is KUAUJXBLDYVELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-11(2,7-12-3-9-5-14-9)8-13-4-10-6-15-10/h9-10H,3-8H2,1-2H3.
What are the key properties of Neopentyl glycol diglycidyl ether?
Neopentyl glycol diglycidyl ether has a molecular weight of 216.27 g/mol, XLogP of 0.50, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Neopentyl glycol diglycidyl ether is sourced from PubChem (CID 28594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).