2-(cyclohexen-1-yl)oxolane

C10H16O — CID 57200417

IUPAC2-(cyclohexen-1-yl)oxolane
SMILESC1=C(C2CCCO2)CCCC1
InChIInChI=1S/C10H16O/c1-2-5-9(6-3-1)10-7-4-8-11-10/h5,10H,1-4,6-8H2
InChIKeyAMZKTFFENLWXPZ-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.67
Rot. Bonds1

About 2-(cyclohexen-1-yl)oxolane

2-(cyclohexen-1-yl)oxolane (PubChem CID 57200417) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)oxolane.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)oxolane
PubChem CID57200417
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-(cyclohexen-1-yl)oxolane
SMILESC1=C(C2CCCO2)CCCC1
InChIInChI=1S/C10H16O/c1-2-5-9(6-3-1)10-7-4-8-11-10/h5,10H,1-4,6-8H2
InChIKeyAMZKTFFENLWXPZ-UHFFFAOYSA-N
XLogP2.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.67
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 2-(cyclohexen-1-yl)oxolane?
The IUPAC name of 2-(cyclohexen-1-yl)oxolane (CID 57200417) is 2-(cyclohexen-1-yl)oxolane.
What is the SMILES notation for 2-(cyclohexen-1-yl)oxolane?
The canonical SMILES for 2-(cyclohexen-1-yl)oxolane is C1=C(C2CCCO2)CCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)oxolane?
The InChIKey is AMZKTFFENLWXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-2-5-9(6-3-1)10-7-4-8-11-10/h5,10H,1-4,6-8H2.
What are the key properties of 2-(cyclohexen-1-yl)oxolane?
2-(cyclohexen-1-yl)oxolane has a molecular weight of 152.24 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)oxolane is sourced from PubChem (CID 57200417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).