2-[[2,6-bis(but-2-enyl)phenoxy]methyl]oxirane

C17H22O2 — CID 151780237

IUPAC2-[[2,6-bis(but-2-enyl)phenoxy]methyl]oxirane
SMILESCC=CCc1cccc(CC=CC)c1OCC1CO1
InChIInChI=1S/C17H22O2/c1-3-5-8-14-10-7-11-15(9-6-4-2)17(14)19-13-16-12-18-16/h3-7,10-11,16H,8-9,12-13H2,1-2H3
InChIKeyRUKZRIUQANNMFC-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.70
Rot. Bonds7

About 2-[[2,6-bis(but-2-enyl)phenoxy]methyl]oxirane

2-[[2,6-bis(but-2-enyl)phenoxy]methyl]oxirane (PubChem CID 151780237) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[[2,6-bis(but-2-enyl)phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2,6-bis(but-2-enyl)phenoxy]methyl]oxirane
PubChem CID151780237
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name2-[[2,6-bis(but-2-enyl)phenoxy]methyl]oxirane
SMILESCC=CCc1cccc(CC=CC)c1OCC1CO1
InChIInChI=1S/C17H22O2/c1-3-5-8-14-10-7-11-15(9-6-4-2)17(14)19-13-16-12-18-16/h3-7,10-11,16H,8-9,12-13H2,1-2H3
InChIKeyRUKZRIUQANNMFC-UHFFFAOYSA-N
XLogP3.70
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[[2,6-bis(but-2-enyl)phenoxy]methyl]oxirane?
The IUPAC name of 2-[[2,6-bis(but-2-enyl)phenoxy]methyl]oxirane (CID 151780237) is 2-[[2,6-bis(but-2-enyl)phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2,6-bis(but-2-enyl)phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[2,6-bis(but-2-enyl)phenoxy]methyl]oxirane is CC=CCc1cccc(CC=CC)c1OCC1CO1.
What is the InChIKey of 2-[[2,6-bis(but-2-enyl)phenoxy]methyl]oxirane?
The InChIKey is RUKZRIUQANNMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-3-5-8-14-10-7-11-15(9-6-4-2)17(14)19-13-16-12-18-16/h3-7,10-11,16H,8-9,12-13H2,1-2H3.
What are the key properties of 2-[[2,6-bis(but-2-enyl)phenoxy]methyl]oxirane?
2-[[2,6-bis(but-2-enyl)phenoxy]methyl]oxirane has a molecular weight of 258.36 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-bis(but-2-enyl)phenoxy]methyl]oxirane is sourced from PubChem (CID 151780237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).