2,4-bis(2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxetane

C16H20O2 — CID 14321347

IUPAC2,4-bis(2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxetane
SMILESC1=CC2CC1CC2C1OC(C2CC3C=CC2C3)O1
InChIInChI=1S/C16H20O2/c1-3-11-5-9(1)7-13(11)15-17-16(18-15)14-8-10-2-4-12(14)6-10/h1-4,9-16H,5-8H2
InChIKeyWILGHWGUOBKMGH-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.11
Rot. Bonds2

About 2,4-bis(2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxetane

2,4-bis(2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxetane (PubChem CID 14321347) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2,4-bis(2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxetane.

Molecular Properties

Compound Name2,4-bis(2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxetane
PubChem CID14321347
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name2,4-bis(2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxetane
SMILESC1=CC2CC1CC2C1OC(C2CC3C=CC2C3)O1
InChIInChI=1S/C16H20O2/c1-3-11-5-9(1)7-13(11)15-17-16(18-15)14-8-10-2-4-12(14)6-10/h1-4,9-16H,5-8H2
InChIKeyWILGHWGUOBKMGH-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,4-bis(2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxetane?
The IUPAC name of 2,4-bis(2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxetane (CID 14321347) is 2,4-bis(2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxetane.
What is the SMILES notation for 2,4-bis(2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxetane?
The canonical SMILES for 2,4-bis(2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxetane is C1=CC2CC1CC2C1OC(C2CC3C=CC2C3)O1.
What is the InChIKey of 2,4-bis(2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxetane?
The InChIKey is WILGHWGUOBKMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-3-11-5-9(1)7-13(11)15-17-16(18-15)14-8-10-2-4-12(14)6-10/h1-4,9-16H,5-8H2.
What are the key properties of 2,4-bis(2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxetane?
2,4-bis(2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxetane has a molecular weight of 244.33 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxetane is sourced from PubChem (CID 14321347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).