2-[[6-but-3-enoxy-2-(methoxymethoxy)hexoxy]methyl]oxirane

C15H28O5 — CID 164782026

IUPAC2-[[6-but-3-enoxy-2-(methoxymethoxy)hexoxy]methyl]oxirane
SMILESC=CCCOCCCCC(COCC1CO1)OCOC
InChIInChI=1S/C15H28O5/c1-3-4-8-17-9-6-5-7-14(20-13-16-2)10-18-11-15-12-19-15/h3,14-15H,1,4-13H2,2H3
InChIKeyQSARXIJVQNILLN-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.15
Rot. Bonds15

About 2-[[6-but-3-enoxy-2-(methoxymethoxy)hexoxy]methyl]oxirane

2-[[6-but-3-enoxy-2-(methoxymethoxy)hexoxy]methyl]oxirane (PubChem CID 164782026) has the molecular formula C15H28O5 and a molecular weight of 288.38 g/mol. Its IUPAC name is 2-[[6-but-3-enoxy-2-(methoxymethoxy)hexoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[6-but-3-enoxy-2-(methoxymethoxy)hexoxy]methyl]oxirane
PubChem CID164782026
Molecular FormulaC15H28O5
Molecular Weight288.38 g/mol
Exact Mass288.19
IUPAC Name2-[[6-but-3-enoxy-2-(methoxymethoxy)hexoxy]methyl]oxirane
SMILESC=CCCOCCCCC(COCC1CO1)OCOC
InChIInChI=1S/C15H28O5/c1-3-4-8-17-9-6-5-7-14(20-13-16-2)10-18-11-15-12-19-15/h3,14-15H,1,4-13H2,2H3
InChIKeyQSARXIJVQNILLN-UHFFFAOYSA-N
XLogP2.15
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.15
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-[[6-but-3-enoxy-2-(methoxymethoxy)hexoxy]methyl]oxirane?
The IUPAC name of 2-[[6-but-3-enoxy-2-(methoxymethoxy)hexoxy]methyl]oxirane (CID 164782026) is 2-[[6-but-3-enoxy-2-(methoxymethoxy)hexoxy]methyl]oxirane.
What is the SMILES notation for 2-[[6-but-3-enoxy-2-(methoxymethoxy)hexoxy]methyl]oxirane?
The canonical SMILES for 2-[[6-but-3-enoxy-2-(methoxymethoxy)hexoxy]methyl]oxirane is C=CCCOCCCCC(COCC1CO1)OCOC.
What is the InChIKey of 2-[[6-but-3-enoxy-2-(methoxymethoxy)hexoxy]methyl]oxirane?
The InChIKey is QSARXIJVQNILLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O5/c1-3-4-8-17-9-6-5-7-14(20-13-16-2)10-18-11-15-12-19-15/h3,14-15H,1,4-13H2,2H3.
What are the key properties of 2-[[6-but-3-enoxy-2-(methoxymethoxy)hexoxy]methyl]oxirane?
2-[[6-but-3-enoxy-2-(methoxymethoxy)hexoxy]methyl]oxirane has a molecular weight of 288.38 g/mol, XLogP of 2.15, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-but-3-enoxy-2-(methoxymethoxy)hexoxy]methyl]oxirane is sourced from PubChem (CID 164782026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).