2,2-bis[(E)-hex-1-enyl]oxetane

C15H26O — CID 135042493

IUPAC2,2-bis[(E)-hex-1-enyl]oxetane
SMILESCCCC/C=C/C1(/C=C/CCCC)CCO1
InChIInChI=1S/C15H26O/c1-3-5-7-9-11-15(13-14-16-15)12-10-8-6-4-2/h9-12H,3-8,13-14H2,1-2H3/b11-9+,12-10+
InChIKeyYAXFCBHQFVFBTK-WGDLNXRISA-N
MW222.37 g/mol
LogP4.64
Rot. Bonds8

About 2,2-bis[(E)-hex-1-enyl]oxetane

2,2-bis[(E)-hex-1-enyl]oxetane (PubChem CID 135042493) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2,2-bis[(E)-hex-1-enyl]oxetane.

Molecular Properties

Compound Name2,2-bis[(E)-hex-1-enyl]oxetane
PubChem CID135042493
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2,2-bis[(E)-hex-1-enyl]oxetane
SMILESCCCC/C=C/C1(/C=C/CCCC)CCO1
InChIInChI=1S/C15H26O/c1-3-5-7-9-11-15(13-14-16-15)12-10-8-6-4-2/h9-12H,3-8,13-14H2,1-2H3/b11-9+,12-10+
InChIKeyYAXFCBHQFVFBTK-WGDLNXRISA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis[(E)-hex-1-enyl]oxetane?
The IUPAC name of 2,2-bis[(E)-hex-1-enyl]oxetane (CID 135042493) is 2,2-bis[(E)-hex-1-enyl]oxetane.
What is the SMILES notation for 2,2-bis[(E)-hex-1-enyl]oxetane?
The canonical SMILES for 2,2-bis[(E)-hex-1-enyl]oxetane is CCCC/C=C/C1(/C=C/CCCC)CCO1.
What is the InChIKey of 2,2-bis[(E)-hex-1-enyl]oxetane?
The InChIKey is YAXFCBHQFVFBTK-WGDLNXRISA-N. The full InChI is InChI=1S/C15H26O/c1-3-5-7-9-11-15(13-14-16-15)12-10-8-6-4-2/h9-12H,3-8,13-14H2,1-2H3/b11-9+,12-10+.
What are the key properties of 2,2-bis[(E)-hex-1-enyl]oxetane?
2,2-bis[(E)-hex-1-enyl]oxetane has a molecular weight of 222.37 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[(E)-hex-1-enyl]oxetane is sourced from PubChem (CID 135042493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).