2-[5-(oxiran-2-ylmethoxy)pentoxymethyl]oxirane

C11H20O4 — CID 14440450

IUPAC2-[5-(oxiran-2-ylmethoxy)pentoxymethyl]oxirane
SMILESC(CCOCC1CO1)CCOCC1CO1
InChIInChI=1S/C11H20O4/c1(2-4-12-6-10-8-14-10)3-5-13-7-11-9-15-11/h10-11H,1-9H2
InChIKeyCAYJDIDYXCENIR-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.99
Rot. Bonds10

About 2-[5-(oxiran-2-ylmethoxy)pentoxymethyl]oxirane

2-[5-(oxiran-2-ylmethoxy)pentoxymethyl]oxirane (PubChem CID 14440450) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[5-(oxiran-2-ylmethoxy)pentoxymethyl]oxirane.

Molecular Properties

Compound Name2-[5-(oxiran-2-ylmethoxy)pentoxymethyl]oxirane
PubChem CID14440450
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2-[5-(oxiran-2-ylmethoxy)pentoxymethyl]oxirane
SMILESC(CCOCC1CO1)CCOCC1CO1
InChIInChI=1S/C11H20O4/c1(2-4-12-6-10-8-14-10)3-5-13-7-11-9-15-11/h10-11H,1-9H2
InChIKeyCAYJDIDYXCENIR-UHFFFAOYSA-N
XLogP0.99
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-[5-(oxiran-2-ylmethoxy)pentoxymethyl]oxirane?
The IUPAC name of 2-[5-(oxiran-2-ylmethoxy)pentoxymethyl]oxirane (CID 14440450) is 2-[5-(oxiran-2-ylmethoxy)pentoxymethyl]oxirane.
What is the SMILES notation for 2-[5-(oxiran-2-ylmethoxy)pentoxymethyl]oxirane?
The canonical SMILES for 2-[5-(oxiran-2-ylmethoxy)pentoxymethyl]oxirane is C(CCOCC1CO1)CCOCC1CO1.
What is the InChIKey of 2-[5-(oxiran-2-ylmethoxy)pentoxymethyl]oxirane?
The InChIKey is CAYJDIDYXCENIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1(2-4-12-6-10-8-14-10)3-5-13-7-11-9-15-11/h10-11H,1-9H2.
What are the key properties of 2-[5-(oxiran-2-ylmethoxy)pentoxymethyl]oxirane?
2-[5-(oxiran-2-ylmethoxy)pentoxymethyl]oxirane has a molecular weight of 216.28 g/mol, XLogP of 0.99, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(oxiran-2-ylmethoxy)pentoxymethyl]oxirane is sourced from PubChem (CID 14440450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).