4-[(1E)-cycloocten-1-yl]oxane

C13H22O — CID 162401028

IUPAC4-[(1E)-cycloocten-1-yl]oxane
SMILESC1=C(/C2CCOCC2)CCCCCC/1
InChIInChI=1S/C13H22O/c1-2-4-6-12(7-5-3-1)13-8-10-14-11-9-13/h6,13H,1-5,7-11H2/b12-6+
InChIKeyHWBQMKGRDRZDCO-WUXMJOGZSA-N
MW194.32 g/mol
LogP3.69
Rot. Bonds1

About 4-[(1E)-cycloocten-1-yl]oxane

4-[(1E)-cycloocten-1-yl]oxane (PubChem CID 162401028) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 4-[(1E)-cycloocten-1-yl]oxane.

Molecular Properties

Compound Name4-[(1E)-cycloocten-1-yl]oxane
PubChem CID162401028
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name4-[(1E)-cycloocten-1-yl]oxane
SMILESC1=C(/C2CCOCC2)CCCCCC/1
InChIInChI=1S/C13H22O/c1-2-4-6-12(7-5-3-1)13-8-10-14-11-9-13/h6,13H,1-5,7-11H2/b12-6+
InChIKeyHWBQMKGRDRZDCO-WUXMJOGZSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1E)-cycloocten-1-yl]oxane?
The IUPAC name of 4-[(1E)-cycloocten-1-yl]oxane (CID 162401028) is 4-[(1E)-cycloocten-1-yl]oxane.
What is the SMILES notation for 4-[(1E)-cycloocten-1-yl]oxane?
The canonical SMILES for 4-[(1E)-cycloocten-1-yl]oxane is C1=C(/C2CCOCC2)CCCCCC/1.
What is the InChIKey of 4-[(1E)-cycloocten-1-yl]oxane?
The InChIKey is HWBQMKGRDRZDCO-WUXMJOGZSA-N. The full InChI is InChI=1S/C13H22O/c1-2-4-6-12(7-5-3-1)13-8-10-14-11-9-13/h6,13H,1-5,7-11H2/b12-6+.
What are the key properties of 4-[(1E)-cycloocten-1-yl]oxane?
4-[(1E)-cycloocten-1-yl]oxane has a molecular weight of 194.32 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E)-cycloocten-1-yl]oxane is sourced from PubChem (CID 162401028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).