2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane

C12H22O6 — CID 16058

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IUPAC2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane
SMILESC(COCCOCC1CO1)OCCOCC1CO1
InChIInChI=1S/C12H22O6/c1(13-3-5-15-7-11-9-17-11)2-14-4-6-16-8-12-10-18-12/h11-12H,1-10H2
InChIKeyUMILHIMHKXVDGH-UHFFFAOYSA-N
MW262.30 g/mol
LogP-0.15
Rot. Bonds13

About 2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane

2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane (PubChem CID 16058) has the molecular formula C12H22O6 and a molecular weight of 262.30 g/mol. Its IUPAC name is 2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane.

Molecular Properties

Compound Name2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane
PubChem CID16058
Molecular FormulaC12H22O6
Molecular Weight262.30 g/mol
Exact Mass262.14
IUPAC Name2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane
SMILESC(COCCOCC1CO1)OCCOCC1CO1
InChIInChI=1S/C12H22O6/c1(13-3-5-15-7-11-9-17-11)2-14-4-6-16-8-12-10-18-12/h11-12H,1-10H2
InChIKeyUMILHIMHKXVDGH-UHFFFAOYSA-N
XLogP-0.15
TPSA61.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,4-Butanediol diglycidyl ether
CID 17046
Neopentyl glycol diglycidyl ether
CID 28594
Diglycidyl ether
CID 16704
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
Glycerol propoxylate triglycidyl ether
CID 114953
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane?
The IUPAC name of 2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane (CID 16058) is 2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane.
What is the SMILES notation for 2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane?
The canonical SMILES for 2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane is C(COCCOCC1CO1)OCCOCC1CO1.
What is the InChIKey of 2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane?
The InChIKey is UMILHIMHKXVDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O6/c1(13-3-5-15-7-11-9-17-11)2-14-4-6-16-8-12-10-18-12/h11-12H,1-10H2.
What are the key properties of 2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane?
2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane has a molecular weight of 262.30 g/mol, XLogP of -0.15, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane is sourced from PubChem (CID 16058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).