2-[[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]methyl]oxirane

C11H20O4 — CID 28594

IUPAC2-[[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]methyl]oxirane
SMILESCC(C)(COCC1CO1)COCC1CO1
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
MW216.28 g/mol
LogP0.84
Rot. Bonds8

About 2-[[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]methyl]oxirane

2-[[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]methyl]oxirane (PubChem CID 28594) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]methyl]oxirane
PubChem CID28594
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2-[[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]methyl]oxirane
SMILESCC(C)(COCC1CO1)COCC1CO1
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
XLogP0.84
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.84
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 2-[[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]methyl]oxirane?
The IUPAC name of 2-[[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]methyl]oxirane (CID 28594) is 2-[[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]methyl]oxirane?
The canonical SMILES for 2-[[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]methyl]oxirane is CC(C)(COCC1CO1)COCC1CO1.
What is the InChIKey of 2-[[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]methyl]oxirane?
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 2-[[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]methyl]oxirane?
2-[[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]methyl]oxirane has a molecular weight of 216.28 g/mol, XLogP of 0.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]methyl]oxirane is sourced from PubChem (CID 28594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).