2-[[3-(but-3-enoxymethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane

C13H24O6 — CID 164782028

IUPAC2-[[3-(but-3-enoxymethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane
SMILESC=CCCOCOCC(COCC1CO1)OCOC
InChIInChI=1S/C13H24O6/c1-3-4-5-15-11-17-8-12(19-10-14-2)6-16-7-13-9-18-13/h3,12-13H,1,4-11H2,2H3
InChIKeyFFPHZIPQIZNOIZ-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.96
Rot. Bonds14

About 2-[[3-(but-3-enoxymethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane

2-[[3-(but-3-enoxymethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane (PubChem CID 164782028) has the molecular formula C13H24O6 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-[[3-(but-3-enoxymethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[3-(but-3-enoxymethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane
PubChem CID164782028
Molecular FormulaC13H24O6
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name2-[[3-(but-3-enoxymethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane
SMILESC=CCCOCOCC(COCC1CO1)OCOC
InChIInChI=1S/C13H24O6/c1-3-4-5-15-11-17-8-12(19-10-14-2)6-16-7-13-9-18-13/h3,12-13H,1,4-11H2,2H3
InChIKeyFFPHZIPQIZNOIZ-UHFFFAOYSA-N
XLogP0.96
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.96
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': '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-[[3-(but-3-enoxymethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane?
The IUPAC name of 2-[[3-(but-3-enoxymethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane (CID 164782028) is 2-[[3-(but-3-enoxymethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane.
What is the SMILES notation for 2-[[3-(but-3-enoxymethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane?
The canonical SMILES for 2-[[3-(but-3-enoxymethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane is C=CCCOCOCC(COCC1CO1)OCOC.
What is the InChIKey of 2-[[3-(but-3-enoxymethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane?
The InChIKey is FFPHZIPQIZNOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O6/c1-3-4-5-15-11-17-8-12(19-10-14-2)6-16-7-13-9-18-13/h3,12-13H,1,4-11H2,2H3.
What are the key properties of 2-[[3-(but-3-enoxymethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane?
2-[[3-(but-3-enoxymethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane has a molecular weight of 276.33 g/mol, XLogP of 0.96, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(but-3-enoxymethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane is sourced from PubChem (CID 164782028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).