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

C35H54O5 — CID 161378411

IUPACcyclohexene;cyclopentene;2,3-dihydro-1,4-dioxine;2,3-dihydrofuran;3,4-dihydro-2H-pyran;7-oxabicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CCC1O2.C1=CCCC1.C1=CCCC1.C1=CCCCC1.C1=COCC1.C1=COCCC1.C1=COCCO1
InChIInChI=1S/C6H8O.C6H10.C5H8O.2C5H8.C4H6O2.C4H6O/c1-2-6-4-3-5(1)7-6;2*1-2-4-6-5-3-1;2*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;2*1-2H,3-5H2;1-2H,3-4H2;1,3H,2,4H2
InChIKeyVRJRDZLWNZXEFI-UHFFFAOYSA-N
MW554.81 g/mol
LogP9.41
Rot. Bonds

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

cyclohexene;cyclopentene;2,3-dihydro-1,4-dioxine;2,3-dihydrofuran;3,4-dihydro-2H-pyran;7-oxabicyclo[2.2.1]hept-2-ene (PubChem CID 161378411) has the molecular formula C35H54O5 and a molecular weight of 554.81 g/mol. Its IUPAC name is cyclohexene;cyclopentene;2,3-dihydro-1,4-dioxine;2,3-dihydrofuran;3,4-dihydro-2H-pyran;7-oxabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Namecyclohexene;cyclopentene;2,3-dihydro-1,4-dioxine;2,3-dihydrofuran;3,4-dihydro-2H-pyran;7-oxabicyclo[2.2.1]hept-2-ene
PubChem CID161378411
Molecular FormulaC35H54O5
Molecular Weight554.81 g/mol
Exact Mass554.40
IUPAC Namecyclohexene;cyclopentene;2,3-dihydro-1,4-dioxine;2,3-dihydrofuran;3,4-dihydro-2H-pyran;7-oxabicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CCC1O2.C1=CCCC1.C1=CCCC1.C1=CCCCC1.C1=COCC1.C1=COCCC1.C1=COCCO1
InChIInChI=1S/C6H8O.C6H10.C5H8O.2C5H8.C4H6O2.C4H6O/c1-2-6-4-3-5(1)7-6;2*1-2-4-6-5-3-1;2*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;2*1-2H,3-5H2;1-2H,3-4H2;1,3H,2,4H2
InChIKeyVRJRDZLWNZXEFI-UHFFFAOYSA-N
XLogP9.41
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.81
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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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;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;7-oxabicyclo[2.2.1]hept-2-ene (CID 161378411) is cyclohexene;cyclopentene;2,3-dihydro-1,4-dioxine;2,3-dihydrofuran;3,4-dihydro-2H-pyran;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;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;7-oxabicyclo[2.2.1]hept-2-ene is C1=CC2CCC1O2.C1=CCCC1.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;7-oxabicyclo[2.2.1]hept-2-ene?
The InChIKey is VRJRDZLWNZXEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O.C6H10.C5H8O.2C5H8.C4H6O2.C4H6O/c1-2-6-4-3-5(1)7-6;2*1-2-4-6-5-3-1;2*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;2*1-2H,3-5H2;1-2H,3-4H2;1,3H,2,4H2.
What are the key properties of cyclohexene;cyclopentene;2,3-dihydro-1,4-dioxine;2,3-dihydrofuran;3,4-dihydro-2H-pyran;7-oxabicyclo[2.2.1]hept-2-ene?
cyclohexene;cyclopentene;2,3-dihydro-1,4-dioxine;2,3-dihydrofuran;3,4-dihydro-2H-pyran;7-oxabicyclo[2.2.1]hept-2-ene has a molecular weight of 554.81 g/mol, XLogP of 9.41, 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;7-oxabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 161378411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).