5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene

C32H44 — CID 160903518

IUPAC5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CC1CC2CCC1CC2C=CC1C2.C1=CC2CC1CC2CCC1CC2C=CC1C2
InChIInChI=1S/2C16H22/c2*1-3-13-7-11(1)9-15(13)5-6-16-10-12-2-4-14(16)8-12/h2*1-4,11-16H,5-10H2
InChIKeySPVBLXKNOLWXFJ-UHFFFAOYSA-N
MW428.70 g/mol
LogP8.38
Rot. Bonds6

About 5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene

5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene (PubChem CID 160903518) has the molecular formula C32H44 and a molecular weight of 428.70 g/mol. Its IUPAC name is 5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
PubChem CID160903518
Molecular FormulaC32H44
Molecular Weight428.70 g/mol
Exact Mass428.34
IUPAC Name5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CC1CC2CCC1CC2C=CC1C2.C1=CC2CC1CC2CCC1CC2C=CC1C2
InChIInChI=1S/2C16H22/c2*1-3-13-7-11(1)9-15(13)5-6-16-10-12-2-4-14(16)8-12/h2*1-4,11-16H,5-10H2
InChIKeySPVBLXKNOLWXFJ-UHFFFAOYSA-N
XLogP8.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.70
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine
CID 98147464
(1S,4S,5R)-5-ethylbicyclo[2.2.1]hept-2-ene
CID 96570682
(1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene
CID 55250323
5-butylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene
CID 160577628
3-(2-bicyclo[2.2.1]hept-5-enyl)propanenitrile
CID 22336686
(1R,4R)-5-(chloromethyl)bicyclo[2.2.1]hept-2-ene
CID 11815475
(1S,4R,5S)-5-(bromomethyl)bicyclo[2.2.1]hept-2-ene
CID 99137828
CID 123207984
CID 123207984
5-octadecylbicyclo[2.2.1]hept-2-ene
CID 22169146
5-heptylbicyclo[2.2.1]hept-2-ene
CID 22253270
5-butylbicyclo[2.2.1]hept-2-ene;5-pentylbicyclo[2.2.1]hept-2-ene
CID 159790983
(1S,4S,5S)-5-hexylbicyclo[2.2.1]hept-2-ene
CID 97304116

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene (CID 160903518) is 5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene is C1=CC2CC1CC2CCC1CC2C=CC1C2.C1=CC2CC1CC2CCC1CC2C=CC1C2.
What is the InChIKey of 5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene?
The InChIKey is SPVBLXKNOLWXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H22/c2*1-3-13-7-11(1)9-15(13)5-6-16-10-12-2-4-14(16)8-12/h2*1-4,11-16H,5-10H2.
What are the key properties of 5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene?
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene has a molecular weight of 428.70 g/mol, XLogP of 8.38, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 160903518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).