2-[[2-(methoxymethoxy)-5-prop-2-enoxypentoxy]methyl]oxirane

C13H24O5 — CID 164782024

IUPAC2-[[2-(methoxymethoxy)-5-prop-2-enoxypentoxy]methyl]oxirane
SMILESC=CCOCCCC(COCC1CO1)OCOC
InChIInChI=1S/C13H24O5/c1-3-6-15-7-4-5-12(18-11-14-2)8-16-9-13-10-17-13/h3,12-13H,1,4-11H2,2H3
InChIKeyGNWPAYVUJPBXDX-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.37
Rot. Bonds13

About 2-[[2-(methoxymethoxy)-5-prop-2-enoxypentoxy]methyl]oxirane

2-[[2-(methoxymethoxy)-5-prop-2-enoxypentoxy]methyl]oxirane (PubChem CID 164782024) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-[[2-(methoxymethoxy)-5-prop-2-enoxypentoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2-(methoxymethoxy)-5-prop-2-enoxypentoxy]methyl]oxirane
PubChem CID164782024
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Name2-[[2-(methoxymethoxy)-5-prop-2-enoxypentoxy]methyl]oxirane
SMILESC=CCOCCCC(COCC1CO1)OCOC
InChIInChI=1S/C13H24O5/c1-3-6-15-7-4-5-12(18-11-14-2)8-16-9-13-10-17-13/h3,12-13H,1,4-11H2,2H3
InChIKeyGNWPAYVUJPBXDX-UHFFFAOYSA-N
XLogP1.37
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[[2-(methoxymethoxy)-5-prop-2-enoxypentoxy]methyl]oxirane?
The IUPAC name of 2-[[2-(methoxymethoxy)-5-prop-2-enoxypentoxy]methyl]oxirane (CID 164782024) is 2-[[2-(methoxymethoxy)-5-prop-2-enoxypentoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2-(methoxymethoxy)-5-prop-2-enoxypentoxy]methyl]oxirane?
The canonical SMILES for 2-[[2-(methoxymethoxy)-5-prop-2-enoxypentoxy]methyl]oxirane is C=CCOCCCC(COCC1CO1)OCOC.
What is the InChIKey of 2-[[2-(methoxymethoxy)-5-prop-2-enoxypentoxy]methyl]oxirane?
The InChIKey is GNWPAYVUJPBXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5/c1-3-6-15-7-4-5-12(18-11-14-2)8-16-9-13-10-17-13/h3,12-13H,1,4-11H2,2H3.
What are the key properties of 2-[[2-(methoxymethoxy)-5-prop-2-enoxypentoxy]methyl]oxirane?
2-[[2-(methoxymethoxy)-5-prop-2-enoxypentoxy]methyl]oxirane has a molecular weight of 260.33 g/mol, XLogP of 1.37, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methoxymethoxy)-5-prop-2-enoxypentoxy]methyl]oxirane is sourced from PubChem (CID 164782024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).