cyclohexene;cyclopentene;2,3-dihydro-1,4-dioxine;2,3-dihydrofuran;3,4-dihydro-2H-pyran;methane;7-oxabicyclo[2.2.1]hept-2-ene

C31H50O5 — CID 158943881

About cyclohexene;cyclopentene;2,3-dihydro-1,4-dioxine;2,3-dihydrofuran;3,4-dihydro-2H-pyran;methane;7-oxabicyclo[2.2.1]hept-2-ene

cyclohexene;cyclopentene;2,3-dihydro-1,4-dioxine;2,3-dihydrofuran;3,4-dihydro-2H-pyran;methane;7-oxabicyclo[2.2.1]hept-2-ene (PubChem CID 158943881) has the molecular formula C31H50O5 and a molecular weight of 502.74 g/mol. Its IUPAC name is cyclohexene;cyclopentene;2,3-dihydro-1,4-dioxine;2,3-dihydrofuran;3,4-dihydro-2H-pyran;methane;7-oxabicyclo[2.2.1]hept-2-ene.

Molecular Properties

• Compound Name: cyclohexene;cyclopentene;2,3-dihydro-1,4-dioxine;2,3-dihydrofuran;3,4-dihydro-2H-pyran;methane;7-oxabicyclo[2.2.1]hept-2-ene
• PubChem CID: 158943881
• Molecular Formula: C31H50O5
• Molecular Weight: 502.74 g/mol
• Exact Mass: 502.37
• IUPAC Name: cyclohexene;cyclopentene;2,3-dihydro-1,4-dioxine;2,3-dihydrofuran;3,4-dihydro-2H-pyran;methane;7-oxabicyclo[2.2.1]hept-2-ene
• SMILES: C.C1=CC2CCC1O2.C1=CCCC1.C1=CCCCC1.C1=COCC1.C1=COCCC1.C1=COCCO1
• InChI: InChI=1S/C6H8O.C6H10.C5H8O.C5H8.C4H6O2.C4H6O.CH4/c1-2-6-4-3-5(1)7-6;2*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-4-5-3-1;/h1-2,5-6H,3-4H2;1-2H,3-6H2;2,4H,1,3,5H2;1-2H,3-5H2;1-2H,3-4H2;1,3H,2,4H2;1H4
• InChIKey: JKOWSZUNPWOWGQ-UHFFFAOYSA-N
• XLogP: 8.32
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.74
LogP ≤ 5	8.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclohexene;cyclopentene;2,3-dihydro-1,4-dioxine;2,3-dihydrofuran;3,4-dihydro-2H-pyran;methane;7-oxabicyclo[2.2.1]hept-2-ene?

The IUPAC name of cyclohexene;cyclopentene;2,3-dihydro-1,4-dioxine;2,3-dihydrofuran;3,4-dihydro-2H-pyran;methane;7-oxabicyclo[2.2.1]hept-2-ene (CID 158943881) is cyclohexene;cyclopentene;2,3-dihydro-1,4-dioxine;2,3-dihydrofuran;3,4-dihydro-2H-pyran;methane;7-oxabicyclo[2.2.1]hept-2-ene.

What is the SMILES notation for cyclohexene;cyclopentene;2,3-dihydro-1,4-dioxine;2,3-dihydrofuran;3,4-dihydro-2H-pyran;methane;7-oxabicyclo[2.2.1]hept-2-ene?

The canonical SMILES for cyclohexene;cyclopentene;2,3-dihydro-1,4-dioxine;2,3-dihydrofuran;3,4-dihydro-2H-pyran;methane;7-oxabicyclo[2.2.1]hept-2-ene is C.C1=CC2CCC1O2.C1=CCCC1.C1=CCCCC1.C1=COCC1.C1=COCCC1.C1=COCCO1.

What is the InChIKey of cyclohexene;cyclopentene;2,3-dihydro-1,4-dioxine;2,3-dihydrofuran;3,4-dihydro-2H-pyran;methane;7-oxabicyclo[2.2.1]hept-2-ene?

The InChIKey is JKOWSZUNPWOWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O.C6H10.C5H8O.C5H8.C4H6O2.C4H6O.CH4/c1-2-6-4-3-5(1)7-6;2*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-4-5-3-1;/h1-2,5-6H,3-4H2;1-2H,3-6H2;2,4H,1,3,5H2;1-2H,3-5H2;1-2H,3-4H2;1,3H,2,4H2;1H4.

What are the key properties of cyclohexene;cyclopentene;2,3-dihydro-1,4-dioxine;2,3-dihydrofuran;3,4-dihydro-2H-pyran;methane;7-oxabicyclo[2.2.1]hept-2-ene?

cyclohexene;cyclopentene;2,3-dihydro-1,4-dioxine;2,3-dihydrofuran;3,4-dihydro-2H-pyran;methane;7-oxabicyclo[2.2.1]hept-2-ene has a molecular weight of 502.74 g/mol, XLogP of 8.32, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexene;cyclopentene;2,3-dihydro-1,4-dioxine;2,3-dihydrofuran;3,4-dihydro-2H-pyran;methane;7-oxabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 158943881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).