2-ethyl-3-(methoxymethoxymethoxymethoxymethoxymethyl)oxirane

C10H20O6 — CID 88561804

IUPAC2-ethyl-3-(methoxymethoxymethoxymethoxymethoxymethyl)oxirane
SMILESCCC1OC1COCOCOCOCOC
InChIInChI=1S/C10H20O6/c1-3-9-10(16-9)4-12-6-14-8-15-7-13-5-11-2/h9-10H,3-8H2,1-2H3
InChIKeyDURSAJQVBUGBHH-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.71
Rot. Bonds11

About 2-ethyl-3-(methoxymethoxymethoxymethoxymethoxymethyl)oxirane

2-ethyl-3-(methoxymethoxymethoxymethoxymethoxymethyl)oxirane (PubChem CID 88561804) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-ethyl-3-(methoxymethoxymethoxymethoxymethoxymethyl)oxirane.

Molecular Properties

Compound Name2-ethyl-3-(methoxymethoxymethoxymethoxymethoxymethyl)oxirane
PubChem CID88561804
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name2-ethyl-3-(methoxymethoxymethoxymethoxymethoxymethyl)oxirane
SMILESCCC1OC1COCOCOCOCOC
InChIInChI=1S/C10H20O6/c1-3-9-10(16-9)4-12-6-14-8-15-7-13-5-11-2/h9-10H,3-8H2,1-2H3
InChIKeyDURSAJQVBUGBHH-UHFFFAOYSA-N
XLogP0.71
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.71
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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(methoxymethoxymethoxymethoxymethoxymethyl)oxirane?
The IUPAC name of 2-ethyl-3-(methoxymethoxymethoxymethoxymethoxymethyl)oxirane (CID 88561804) is 2-ethyl-3-(methoxymethoxymethoxymethoxymethoxymethyl)oxirane.
What is the SMILES notation for 2-ethyl-3-(methoxymethoxymethoxymethoxymethoxymethyl)oxirane?
The canonical SMILES for 2-ethyl-3-(methoxymethoxymethoxymethoxymethoxymethyl)oxirane is CCC1OC1COCOCOCOCOC.
What is the InChIKey of 2-ethyl-3-(methoxymethoxymethoxymethoxymethoxymethyl)oxirane?
The InChIKey is DURSAJQVBUGBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O6/c1-3-9-10(16-9)4-12-6-14-8-15-7-13-5-11-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-ethyl-3-(methoxymethoxymethoxymethoxymethoxymethyl)oxirane?
2-ethyl-3-(methoxymethoxymethoxymethoxymethoxymethyl)oxirane has a molecular weight of 236.26 g/mol, XLogP of 0.71, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(methoxymethoxymethoxymethoxymethoxymethyl)oxirane is sourced from PubChem (CID 88561804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).