2-[[1-ethoxy-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]methyl]oxirane

C13H26O6 — CID 150746086

IUPAC2-[[1-ethoxy-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]methyl]oxirane
SMILESCCOCCOCCOCC(OCC)OCC1CO1
InChIInChI=1S/C13H26O6/c1-3-14-5-6-15-7-8-16-11-13(17-4-2)19-10-12-9-18-12/h12-13H,3-11H2,1-2H3
InChIKeyJUWIYAWIXOHKRQ-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.83
Rot. Bonds14

About 2-[[1-ethoxy-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]methyl]oxirane

2-[[1-ethoxy-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]methyl]oxirane (PubChem CID 150746086) has the molecular formula C13H26O6 and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-[[1-ethoxy-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[1-ethoxy-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]methyl]oxirane
PubChem CID150746086
Molecular FormulaC13H26O6
Molecular Weight278.34 g/mol
Exact Mass278.17
IUPAC Name2-[[1-ethoxy-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]methyl]oxirane
SMILESCCOCCOCCOCC(OCC)OCC1CO1
InChIInChI=1S/C13H26O6/c1-3-14-5-6-15-7-8-16-11-13(17-4-2)19-10-12-9-18-12/h12-13H,3-11H2,1-2H3
InChIKeyJUWIYAWIXOHKRQ-UHFFFAOYSA-N
XLogP0.83
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-propoxyethoxy)propan-2-yloxymethyl]oxirane
CID 134464354
2-(4,4-diethoxybutoxymethyl)oxirane
CID 87292849
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)hexoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 59991511
2,2-diethoxyethyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 123713397
2-[[1-(ethoxymethoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane
CID 134214462
2-[[2-(2-methoxyethoxy)-1-(oxiran-2-yl)ethoxy]methyl]oxirane
CID 87386866
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 58765936
2,2-diethoxyethyl-[5-(oxiran-2-ylmethoxy)pentyl]silane
CID 150898745
1-(2,2-diethoxyethoxy)-3-methoxypropane
CID 63629609
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 90384181
triethyl 1-(oxiran-2-ylmethoxy)propyl silicate
CID 87343649
(2S)-2-[[4-(2-ethoxyethoxy)phenoxy]methyl]oxirane
CID 11075490

Frequently Asked Questions

What is the IUPAC name of 2-[[1-ethoxy-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]methyl]oxirane?
The IUPAC name of 2-[[1-ethoxy-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]methyl]oxirane (CID 150746086) is 2-[[1-ethoxy-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]methyl]oxirane.
What is the SMILES notation for 2-[[1-ethoxy-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]methyl]oxirane?
The canonical SMILES for 2-[[1-ethoxy-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]methyl]oxirane is CCOCCOCCOCC(OCC)OCC1CO1.
What is the InChIKey of 2-[[1-ethoxy-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]methyl]oxirane?
The InChIKey is JUWIYAWIXOHKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O6/c1-3-14-5-6-15-7-8-16-11-13(17-4-2)19-10-12-9-18-12/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-[[1-ethoxy-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]methyl]oxirane?
2-[[1-ethoxy-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]methyl]oxirane has a molecular weight of 278.34 g/mol, XLogP of 0.83, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-ethoxy-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]methyl]oxirane is sourced from PubChem (CID 150746086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).