2-[(E)-hex-1-enyl]oxane

C11H20O — CID 5358352

IUPAC2-[(E)-hex-1-enyl]oxane
SMILESCCCC/C=C/C1CCCCO1
InChIInChI=1S/C11H20O/c1-2-3-4-5-8-11-9-6-7-10-12-11/h5,8,11H,2-4,6-7,9-10H2,1H3/b8-5+
InChIKeyKDCUYFQIFGGLOG-VMPITWQZSA-N
MW168.28 g/mol
LogP3.30
Rot. Bonds4

About 2-[(E)-hex-1-enyl]oxane

2-[(E)-hex-1-enyl]oxane (PubChem CID 5358352) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-[(E)-hex-1-enyl]oxane.

Molecular Properties

Compound Name2-[(E)-hex-1-enyl]oxane
PubChem CID5358352
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-[(E)-hex-1-enyl]oxane
SMILESCCCC/C=C/C1CCCCO1
InChIInChI=1S/C11H20O/c1-2-3-4-5-8-11-9-6-7-10-12-11/h5,8,11H,2-4,6-7,9-10H2,1H3/b8-5+
InChIKeyKDCUYFQIFGGLOG-VMPITWQZSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.30
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-[(E)-hex-1-enyl]oxane?
The IUPAC name of 2-[(E)-hex-1-enyl]oxane (CID 5358352) is 2-[(E)-hex-1-enyl]oxane.
What is the SMILES notation for 2-[(E)-hex-1-enyl]oxane?
The canonical SMILES for 2-[(E)-hex-1-enyl]oxane is CCCC/C=C/C1CCCCO1.
What is the InChIKey of 2-[(E)-hex-1-enyl]oxane?
The InChIKey is KDCUYFQIFGGLOG-VMPITWQZSA-N. The full InChI is InChI=1S/C11H20O/c1-2-3-4-5-8-11-9-6-7-10-12-11/h5,8,11H,2-4,6-7,9-10H2,1H3/b8-5+.
What are the key properties of 2-[(E)-hex-1-enyl]oxane?
2-[(E)-hex-1-enyl]oxane has a molecular weight of 168.28 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hex-1-enyl]oxane is sourced from PubChem (CID 5358352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).