2-[3-[3-(oxiran-2-ylmethoxy)but-1-en-2-yloxy]but-3-en-2-yloxymethyl]oxirane

C14H22O5 — CID 22906182

IUPAC2-[3-[3-(oxiran-2-ylmethoxy)but-1-en-2-yloxy]but-3-en-2-yloxymethyl]oxirane
SMILESC=C(OC(=C)C(C)OCC1CO1)C(C)OCC1CO1
InChIInChI=1S/C14H22O5/c1-9(15-5-13-7-17-13)11(3)19-12(4)10(2)16-6-14-8-18-14/h9-10,13-14H,3-8H2,1-2H3
InChIKeyOLKFYIQWCJDSID-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.64
Rot. Bonds10

About 2-[3-[3-(oxiran-2-ylmethoxy)but-1-en-2-yloxy]but-3-en-2-yloxymethyl]oxirane

2-[3-[3-(oxiran-2-ylmethoxy)but-1-en-2-yloxy]but-3-en-2-yloxymethyl]oxirane (PubChem CID 22906182) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-[3-[3-(oxiran-2-ylmethoxy)but-1-en-2-yloxy]but-3-en-2-yloxymethyl]oxirane.

Molecular Properties

Compound Name2-[3-[3-(oxiran-2-ylmethoxy)but-1-en-2-yloxy]but-3-en-2-yloxymethyl]oxirane
PubChem CID22906182
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name2-[3-[3-(oxiran-2-ylmethoxy)but-1-en-2-yloxy]but-3-en-2-yloxymethyl]oxirane
SMILESC=C(OC(=C)C(C)OCC1CO1)C(C)OCC1CO1
InChIInChI=1S/C14H22O5/c1-9(15-5-13-7-17-13)11(3)19-12(4)10(2)16-6-14-8-18-14/h9-10,13-14H,3-8H2,1-2H3
InChIKeyOLKFYIQWCJDSID-UHFFFAOYSA-N
XLogP1.64
TPSA52.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-[3-[3-(oxiran-2-ylmethoxy)but-1-en-2-yloxy]but-3-en-2-yloxymethyl]oxirane?
The IUPAC name of 2-[3-[3-(oxiran-2-ylmethoxy)but-1-en-2-yloxy]but-3-en-2-yloxymethyl]oxirane (CID 22906182) is 2-[3-[3-(oxiran-2-ylmethoxy)but-1-en-2-yloxy]but-3-en-2-yloxymethyl]oxirane.
What is the SMILES notation for 2-[3-[3-(oxiran-2-ylmethoxy)but-1-en-2-yloxy]but-3-en-2-yloxymethyl]oxirane?
The canonical SMILES for 2-[3-[3-(oxiran-2-ylmethoxy)but-1-en-2-yloxy]but-3-en-2-yloxymethyl]oxirane is C=C(OC(=C)C(C)OCC1CO1)C(C)OCC1CO1.
What is the InChIKey of 2-[3-[3-(oxiran-2-ylmethoxy)but-1-en-2-yloxy]but-3-en-2-yloxymethyl]oxirane?
The InChIKey is OLKFYIQWCJDSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-9(15-5-13-7-17-13)11(3)19-12(4)10(2)16-6-14-8-18-14/h9-10,13-14H,3-8H2,1-2H3.
What are the key properties of 2-[3-[3-(oxiran-2-ylmethoxy)but-1-en-2-yloxy]but-3-en-2-yloxymethyl]oxirane?
2-[3-[3-(oxiran-2-ylmethoxy)but-1-en-2-yloxy]but-3-en-2-yloxymethyl]oxirane has a molecular weight of 270.32 g/mol, XLogP of 1.64, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(oxiran-2-ylmethoxy)but-1-en-2-yloxy]but-3-en-2-yloxymethyl]oxirane is sourced from PubChem (CID 22906182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).