2-[2-(oxiran-2-ylmethoxy)but-3-enoxymethyl]oxirane

C10H16O4 — CID 87507548

IUPAC2-[2-(oxiran-2-ylmethoxy)but-3-enoxymethyl]oxirane
SMILESC=CC(COCC1CO1)OCC1CO1
InChIInChI=1S/C10H16O4/c1-2-8(12-6-10-7-14-10)3-11-4-9-5-13-9/h2,8-10H,1,3-7H2
InChIKeyUTISUDRIFLTNSK-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.37
Rot. Bonds8

About 2-[2-(oxiran-2-ylmethoxy)but-3-enoxymethyl]oxirane

2-[2-(oxiran-2-ylmethoxy)but-3-enoxymethyl]oxirane (PubChem CID 87507548) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-[2-(oxiran-2-ylmethoxy)but-3-enoxymethyl]oxirane.

Molecular Properties

Compound Name2-[2-(oxiran-2-ylmethoxy)but-3-enoxymethyl]oxirane
PubChem CID87507548
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-[2-(oxiran-2-ylmethoxy)but-3-enoxymethyl]oxirane
SMILESC=CC(COCC1CO1)OCC1CO1
InChIInChI=1S/C10H16O4/c1-2-8(12-6-10-7-14-10)3-11-4-9-5-13-9/h2,8-10H,1,3-7H2
InChIKeyUTISUDRIFLTNSK-UHFFFAOYSA-N
XLogP0.37
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-[2-(oxiran-2-ylmethoxy)but-3-enoxymethyl]oxirane?
The IUPAC name of 2-[2-(oxiran-2-ylmethoxy)but-3-enoxymethyl]oxirane (CID 87507548) is 2-[2-(oxiran-2-ylmethoxy)but-3-enoxymethyl]oxirane.
What is the SMILES notation for 2-[2-(oxiran-2-ylmethoxy)but-3-enoxymethyl]oxirane?
The canonical SMILES for 2-[2-(oxiran-2-ylmethoxy)but-3-enoxymethyl]oxirane is C=CC(COCC1CO1)OCC1CO1.
What is the InChIKey of 2-[2-(oxiran-2-ylmethoxy)but-3-enoxymethyl]oxirane?
The InChIKey is UTISUDRIFLTNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-2-8(12-6-10-7-14-10)3-11-4-9-5-13-9/h2,8-10H,1,3-7H2.
What are the key properties of 2-[2-(oxiran-2-ylmethoxy)but-3-enoxymethyl]oxirane?
2-[2-(oxiran-2-ylmethoxy)but-3-enoxymethyl]oxirane has a molecular weight of 200.23 g/mol, XLogP of 0.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxiran-2-ylmethoxy)but-3-enoxymethyl]oxirane is sourced from PubChem (CID 87507548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).