5-[10-(2-bicyclo[2.2.1]hept-5-enyl)-3,8-dimethyldecyl]bicyclo[2.2.1]hept-2-ene

C26H42 — CID 140644902

IUPAC5-[10-(2-bicyclo[2.2.1]hept-5-enyl)-3,8-dimethyldecyl]bicyclo[2.2.1]hept-2-ene
SMILESCC(CCCCC(C)CCC1CC2C=CC1C2)CCC1CC2C=CC1C2
InChIInChI=1S/C26H42/c1-19(7-11-23-15-21-9-13-25(23)17-21)5-3-4-6-20(2)8-12-24-16-22-10-14-26(24)18-22/h9-10,13-14,19-26H,3-8,11-12,15-18H2,1-2H3
InChIKeyXZDJLAHYVUQKNS-UHFFFAOYSA-N
MW354.62 g/mol
LogP7.80
Rot. Bonds11

About 5-[10-(2-bicyclo[2.2.1]hept-5-enyl)-3,8-dimethyldecyl]bicyclo[2.2.1]hept-2-ene

5-[10-(2-bicyclo[2.2.1]hept-5-enyl)-3,8-dimethyldecyl]bicyclo[2.2.1]hept-2-ene (PubChem CID 140644902) has the molecular formula C26H42 and a molecular weight of 354.62 g/mol. Its IUPAC name is 5-[10-(2-bicyclo[2.2.1]hept-5-enyl)-3,8-dimethyldecyl]bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-[10-(2-bicyclo[2.2.1]hept-5-enyl)-3,8-dimethyldecyl]bicyclo[2.2.1]hept-2-ene
PubChem CID140644902
Molecular FormulaC26H42
Molecular Weight354.62 g/mol
Exact Mass354.33
IUPAC Name5-[10-(2-bicyclo[2.2.1]hept-5-enyl)-3,8-dimethyldecyl]bicyclo[2.2.1]hept-2-ene
SMILESCC(CCCCC(C)CCC1CC2C=CC1C2)CCC1CC2C=CC1C2
InChIInChI=1S/C26H42/c1-19(7-11-23-15-21-9-13-25(23)17-21)5-3-4-6-20(2)8-12-24-16-22-10-14-26(24)18-22/h9-10,13-14,19-26H,3-8,11-12,15-18H2,1-2H3
InChIKeyXZDJLAHYVUQKNS-UHFFFAOYSA-N
XLogP7.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 57.80
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

5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
(1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene
CID 55250323
5-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene
CID 21079931
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
[4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dichlorobutan-2-yl]silane
CID 173198471
5-butylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene
CID 160577628
4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-oxo-propan-2-ylphosphanium
CID 166862872
2-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine
CID 98147464
8-(2-bicyclo[2.2.1]hept-5-enyl)-2-methyl-3-propan-2-yloctan-3-ol
CID 18413318

Frequently Asked Questions

What is the IUPAC name of 5-[10-(2-bicyclo[2.2.1]hept-5-enyl)-3,8-dimethyldecyl]bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-[10-(2-bicyclo[2.2.1]hept-5-enyl)-3,8-dimethyldecyl]bicyclo[2.2.1]hept-2-ene (CID 140644902) is 5-[10-(2-bicyclo[2.2.1]hept-5-enyl)-3,8-dimethyldecyl]bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-[10-(2-bicyclo[2.2.1]hept-5-enyl)-3,8-dimethyldecyl]bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-[10-(2-bicyclo[2.2.1]hept-5-enyl)-3,8-dimethyldecyl]bicyclo[2.2.1]hept-2-ene is CC(CCCCC(C)CCC1CC2C=CC1C2)CCC1CC2C=CC1C2.
What is the InChIKey of 5-[10-(2-bicyclo[2.2.1]hept-5-enyl)-3,8-dimethyldecyl]bicyclo[2.2.1]hept-2-ene?
The InChIKey is XZDJLAHYVUQKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42/c1-19(7-11-23-15-21-9-13-25(23)17-21)5-3-4-6-20(2)8-12-24-16-22-10-14-26(24)18-22/h9-10,13-14,19-26H,3-8,11-12,15-18H2,1-2H3.
What are the key properties of 5-[10-(2-bicyclo[2.2.1]hept-5-enyl)-3,8-dimethyldecyl]bicyclo[2.2.1]hept-2-ene?
5-[10-(2-bicyclo[2.2.1]hept-5-enyl)-3,8-dimethyldecyl]bicyclo[2.2.1]hept-2-ene has a molecular weight of 354.62 g/mol, XLogP of 7.80, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-(2-bicyclo[2.2.1]hept-5-enyl)-3,8-dimethyldecyl]bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 140644902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).