bicyclo[2.2.1]hept-2-ene;bis(bicyclo[3.1.1]hept-2-ene);bicyclo[3.2.0]hept-2-ene;bicyclo[4.1.0]hept-2-ene;bicyclo[4.1.0]hept-3-ene;methane

C84H228 — CID 158282656

IUPACbicyclo[2.2.1]hept-2-ene;bis(bicyclo[3.1.1]hept-2-ene);bicyclo[3.2.0]hept-2-ene;bicyclo[4.1.0]hept-2-ene;bicyclo[4.1.0]hept-3-ene;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C1=CC2CC(C1)C2.C1=CC2CC(C1)C2.C1=CC2CC2CC1.C1=CC2CCC1C2.C1=CC2CCC2C1.C1=CCC2CC2C1
InChIInChI=1S/6C7H10.42CH4/c1-2-7-4-3-6(1)5-7;2*1-2-6-4-7(3-1)5-6;1-2-6-4-5-7(6)3-1;2*1-2-4-7-5-6(7)3-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h4*1-2,6-7H,3-5H2;1,3,6-7H,2,4-5H2;1-2,6-7H,3-5H2;42*1H4
InChIKeyGKJZRWJAGJZIMX-UHFFFAOYSA-N
MW1238.75 g/mol
LogP38.55
Rot. Bonds

About bicyclo[2.2.1]hept-2-ene;bis(bicyclo[3.1.1]hept-2-ene);bicyclo[3.2.0]hept-2-ene;bicyclo[4.1.0]hept-2-ene;bicyclo[4.1.0]hept-3-ene;methane

bicyclo[2.2.1]hept-2-ene;bis(bicyclo[3.1.1]hept-2-ene);bicyclo[3.2.0]hept-2-ene;bicyclo[4.1.0]hept-2-ene;bicyclo[4.1.0]hept-3-ene;methane (PubChem CID 158282656) has the molecular formula C84H228 and a molecular weight of 1238.75 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-2-ene;bis(bicyclo[3.1.1]hept-2-ene);bicyclo[3.2.0]hept-2-ene;bicyclo[4.1.0]hept-2-ene;bicyclo[4.1.0]hept-3-ene;methane.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-2-ene;bis(bicyclo[3.1.1]hept-2-ene);bicyclo[3.2.0]hept-2-ene;bicyclo[4.1.0]hept-2-ene;bicyclo[4.1.0]hept-3-ene;methane
PubChem CID158282656
Molecular FormulaC84H228
Molecular Weight1238.75 g/mol
Exact Mass1237.78
IUPAC Namebicyclo[2.2.1]hept-2-ene;bis(bicyclo[3.1.1]hept-2-ene);bicyclo[3.2.0]hept-2-ene;bicyclo[4.1.0]hept-2-ene;bicyclo[4.1.0]hept-3-ene;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C1=CC2CC(C1)C2.C1=CC2CC(C1)C2.C1=CC2CC2CC1.C1=CC2CCC1C2.C1=CC2CCC2C1.C1=CCC2CC2C1
InChIInChI=1S/6C7H10.42CH4/c1-2-7-4-3-6(1)5-7;2*1-2-6-4-7(3-1)5-6;1-2-6-4-5-7(6)3-1;2*1-2-4-7-5-6(7)3-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h4*1-2,6-7H,3-5H2;1,3,6-7H,2,4-5H2;1-2,6-7H,3-5H2;42*1H4
InChIKeyGKJZRWJAGJZIMX-UHFFFAOYSA-N
XLogP38.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001238.75
LogP ≤ 538.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bicyclo[2.2.1]hept-2-ene;bis(bicyclo[3.1.1]hept-2-ene);bicyclo[3.2.0]hept-2-ene;bicyclo[4.1.0]hept-2-ene;bicyclo[4.1.0]hept-3-ene;methane with MolForge

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Related Compounds

Bicyclo[2.2.1]hept-2-ene;bis(bicyclo[3.1.1]hept-2-ene);bicyclo[3.2.0]hept-2-ene;bicyclo[4.1.0]hept-2-ene;bicyclo[4.1.0]hept-3-ene;methane
CID 159998810
Bicyclo[2.2.1]hept-2-ene;bis(bicyclo[3.1.1]hept-2-ene);bicyclo[3.2.0]hept-1-ene;bicyclo[3.2.0]hept-2-ene;bicyclo[4.1.0]hept-2-ene;bicyclo[4.1.0]hept-3-ene
CID 160172392
Bicyclo[2.2.1]hept-2-ene;tris(bicyclo[3.1.1]hept-2-ene);bicyclo[3.2.0]hept-1-ene;bicyclo[3.2.0]hept-2-ene;bicyclo[4.1.0]hept-2-ene;bicyclo[4.1.0]hept-3-ene
CID 161729255
Bicyclo[2.2.1]hept-2-ene;bis(bicyclo[3.1.1]hept-2-ene);bicyclo[3.2.0]hept-2-ene;bicyclo[4.1.0]hept-2-ene;bicyclo[4.1.0]hept-3-ene
CID 162273837

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hept-2-ene;bis(bicyclo[3.1.1]hept-2-ene);bicyclo[3.2.0]hept-2-ene;bicyclo[4.1.0]hept-2-ene;bicyclo[4.1.0]hept-3-ene;methane?
The IUPAC name of bicyclo[2.2.1]hept-2-ene;bis(bicyclo[3.1.1]hept-2-ene);bicyclo[3.2.0]hept-2-ene;bicyclo[4.1.0]hept-2-ene;bicyclo[4.1.0]hept-3-ene;methane (CID 158282656) is bicyclo[2.2.1]hept-2-ene;bis(bicyclo[3.1.1]hept-2-ene);bicyclo[3.2.0]hept-2-ene;bicyclo[4.1.0]hept-2-ene;bicyclo[4.1.0]hept-3-ene;methane.
What is the SMILES notation for bicyclo[2.2.1]hept-2-ene;bis(bicyclo[3.1.1]hept-2-ene);bicyclo[3.2.0]hept-2-ene;bicyclo[4.1.0]hept-2-ene;bicyclo[4.1.0]hept-3-ene;methane?
The canonical SMILES for bicyclo[2.2.1]hept-2-ene;bis(bicyclo[3.1.1]hept-2-ene);bicyclo[3.2.0]hept-2-ene;bicyclo[4.1.0]hept-2-ene;bicyclo[4.1.0]hept-3-ene;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C1=CC2CC(C1)C2.C1=CC2CC(C1)C2.C1=CC2CC2CC1.C1=CC2CCC1C2.C1=CC2CCC2C1.C1=CCC2CC2C1.
What is the InChIKey of bicyclo[2.2.1]hept-2-ene;bis(bicyclo[3.1.1]hept-2-ene);bicyclo[3.2.0]hept-2-ene;bicyclo[4.1.0]hept-2-ene;bicyclo[4.1.0]hept-3-ene;methane?
The InChIKey is GKJZRWJAGJZIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/6C7H10.42CH4/c1-2-7-4-3-6(1)5-7;2*1-2-6-4-7(3-1)5-6;1-2-6-4-5-7(6)3-1;2*1-2-4-7-5-6(7)3-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h4*1-2,6-7H,3-5H2;1,3,6-7H,2,4-5H2;1-2,6-7H,3-5H2;42*1H4.
What are the key properties of bicyclo[2.2.1]hept-2-ene;bis(bicyclo[3.1.1]hept-2-ene);bicyclo[3.2.0]hept-2-ene;bicyclo[4.1.0]hept-2-ene;bicyclo[4.1.0]hept-3-ene;methane?
bicyclo[2.2.1]hept-2-ene;bis(bicyclo[3.1.1]hept-2-ene);bicyclo[3.2.0]hept-2-ene;bicyclo[4.1.0]hept-2-ene;bicyclo[4.1.0]hept-3-ene;methane has a molecular weight of 1238.75 g/mol, XLogP of 38.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hept-2-ene;bis(bicyclo[3.1.1]hept-2-ene);bicyclo[3.2.0]hept-2-ene;bicyclo[4.1.0]hept-2-ene;bicyclo[4.1.0]hept-3-ene;methane is sourced from PubChem (CID 158282656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).