bis(bicyclo[2.2.1]hept-1-ene);hex-1-ene

C20H32 — CID 23296792

IUPACbis(bicyclo[2.2.1]hept-1-ene);hex-1-ene
SMILESC1=C2CCC(C1)C2.C1=C2CCC(C1)C2.C=CCCCC
InChIInChI=1S/2C7H10.C6H12/c2*1-2-7-4-3-6(1)5-7;1-3-5-6-4-2/h2*1,7H,2-5H2;3H,1,4-6H2,2H3
InChIKeyLZLFFOQBVLHLRN-UHFFFAOYSA-N
MW272.48 g/mol
LogP6.60
Rot. Bonds3

About bis(bicyclo[2.2.1]hept-1-ene);hex-1-ene

bis(bicyclo[2.2.1]hept-1-ene);hex-1-ene (PubChem CID 23296792) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is bis(bicyclo[2.2.1]hept-1-ene);hex-1-ene.

Molecular Properties

Compound Namebis(bicyclo[2.2.1]hept-1-ene);hex-1-ene
PubChem CID23296792
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Namebis(bicyclo[2.2.1]hept-1-ene);hex-1-ene
SMILESC1=C2CCC(C1)C2.C1=C2CCC(C1)C2.C=CCCCC
InChIInChI=1S/2C7H10.C6H12/c2*1-2-7-4-3-6(1)5-7;1-3-5-6-4-2/h2*1,7H,2-5H2;3H,1,4-6H2,2H3
InChIKeyLZLFFOQBVLHLRN-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(bicyclo[2.2.1]hept-1-ene);sulfane
CID 89183928
bicyclo[2.2.1]hept-1-ene
CID 19832543
octakis(bicyclo[2.2.1]hept-1-ene);sulfane
CID 70150829
azane;bicyclo[2.2.1]hept-1-ene
CID 18468857
bicyclo[2.2.1]hept-1-ene;4,6-dimethylhept-1-ene
CID 173305314
bicyclo[2.2.1]hept-1-ene;2-butylbicyclo[2.2.1]hept-1-ene
CID 18318750
hex-1-ene;zinc
CID 174554611
benzene;buta-1,3-diene;hex-1-ene
CID 159461110
but-1-ene;tetrakis(hex-1-ene)
CID 22000755
hex-1-ene;zirconium(4+);dichloride
CID 157382882
but-1-ene;hexakis(hex-1-ene)
CID 161273113
pent-1-ene;pentylidenecyclopropane
CID 173050436

Frequently Asked Questions

What is the IUPAC name of bis(bicyclo[2.2.1]hept-1-ene);hex-1-ene?
The IUPAC name of bis(bicyclo[2.2.1]hept-1-ene);hex-1-ene (CID 23296792) is bis(bicyclo[2.2.1]hept-1-ene);hex-1-ene.
What is the SMILES notation for bis(bicyclo[2.2.1]hept-1-ene);hex-1-ene?
The canonical SMILES for bis(bicyclo[2.2.1]hept-1-ene);hex-1-ene is C1=C2CCC(C1)C2.C1=C2CCC(C1)C2.C=CCCCC.
What is the InChIKey of bis(bicyclo[2.2.1]hept-1-ene);hex-1-ene?
The InChIKey is LZLFFOQBVLHLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H10.C6H12/c2*1-2-7-4-3-6(1)5-7;1-3-5-6-4-2/h2*1,7H,2-5H2;3H,1,4-6H2,2H3.
What are the key properties of bis(bicyclo[2.2.1]hept-1-ene);hex-1-ene?
bis(bicyclo[2.2.1]hept-1-ene);hex-1-ene has a molecular weight of 272.48 g/mol, XLogP of 6.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bicyclo[2.2.1]hept-1-ene);hex-1-ene is sourced from PubChem (CID 23296792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).