5,5-dimethylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene;5-ethyl-5-methylbicyclo[2.2.1]hept-2-ene;5-methylbicyclo[2.2.1]hept-2-ene;5-propylbicyclo[2.2.1]hept-2-ene;tricyclo[5.2.1.02,6]dec-8-ene

C56H86 — CID 159378738

IUPAC5,5-dimethylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene;5-ethyl-5-methylbicyclo[2.2.1]hept-2-ene;5-methylbicyclo[2.2.1]hept-2-ene;5-propylbicyclo[2.2.1]hept-2-ene;tricyclo[5.2.1.02,6]dec-8-ene
SMILESC1=CC2CC1C1CCCC21.CC1(C)CC2C=CC1C2.CC1CC2C=CC1C2.CCC1(C)CC2C=CC1C2.CCC1CC2C=CC1C2.CCCC1CC2C=CC1C2
InChIInChI=1S/C10H14.2C10H16.2C9H14.C8H12/c1-2-9-7-4-5-8(6-7)10(9)3-1;1-3-10(2)7-8-4-5-9(10)6-8;1-2-3-9-6-8-4-5-10(9)7-8;1-9(2)6-7-3-4-8(9)5-7;1-2-8-5-7-3-4-9(8)6-7;1-6-4-7-2-3-8(6)5-7/h4-5,7-10H,1-3,6H2;4-5,8-9H,3,6-7H2,1-2H3;4-5,8-10H,2-3,6-7H2,1H3;3-4,7-8H,5-6H2,1-2H3;3-4,7-9H,2,5-6H2,1H3;2-3,6-8H,4-5H2,1H3
InChIKeyLKQISZROYAASRN-UHFFFAOYSA-N
MW759.30 g/mol
LogP16.04
Rot. Bonds4

About 5,5-dimethylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene;5-ethyl-5-methylbicyclo[2.2.1]hept-2-ene;5-methylbicyclo[2.2.1]hept-2-ene;5-propylbicyclo[2.2.1]hept-2-ene;tricyclo[5.2.1.02,6]dec-8-ene

5,5-dimethylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene;5-ethyl-5-methylbicyclo[2.2.1]hept-2-ene;5-methylbicyclo[2.2.1]hept-2-ene;5-propylbicyclo[2.2.1]hept-2-ene;tricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 159378738) has the molecular formula C56H86 and a molecular weight of 759.30 g/mol. Its IUPAC name is 5,5-dimethylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene;5-ethyl-5-methylbicyclo[2.2.1]hept-2-ene;5-methylbicyclo[2.2.1]hept-2-ene;5-propylbicyclo[2.2.1]hept-2-ene;tricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name5,5-dimethylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene;5-ethyl-5-methylbicyclo[2.2.1]hept-2-ene;5-methylbicyclo[2.2.1]hept-2-ene;5-propylbicyclo[2.2.1]hept-2-ene;tricyclo[5.2.1.02,6]dec-8-ene
PubChem CID159378738
Molecular FormulaC56H86
Molecular Weight759.30 g/mol
Exact Mass758.67
IUPAC Name5,5-dimethylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene;5-ethyl-5-methylbicyclo[2.2.1]hept-2-ene;5-methylbicyclo[2.2.1]hept-2-ene;5-propylbicyclo[2.2.1]hept-2-ene;tricyclo[5.2.1.02,6]dec-8-ene
SMILESC1=CC2CC1C1CCCC21.CC1(C)CC2C=CC1C2.CC1CC2C=CC1C2.CCC1(C)CC2C=CC1C2.CCC1CC2C=CC1C2.CCCC1CC2C=CC1C2
InChIInChI=1S/C10H14.2C10H16.2C9H14.C8H12/c1-2-9-7-4-5-8(6-7)10(9)3-1;1-3-10(2)7-8-4-5-9(10)6-8;1-2-3-9-6-8-4-5-10(9)7-8;1-9(2)6-7-3-4-8(9)5-7;1-2-8-5-7-3-4-9(8)6-7;1-6-4-7-2-3-8(6)5-7/h4-5,7-10H,1-3,6H2;4-5,8-9H,3,6-7H2,1-2H3;4-5,8-10H,2-3,6-7H2,1H3;3-4,7-8H,5-6H2,1-2H3;3-4,7-9H,2,5-6H2,1H3;2-3,6-8H,4-5H2,1H3
InChIKeyLKQISZROYAASRN-UHFFFAOYSA-N
XLogP16.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.30
LogP ≤ 516.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5,5-dimethylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene;5-ethyl-5-methylbicyclo[2.2.1]hept-2-ene;5-methylbicyclo[2.2.1]hept-2-ene;5-propylbicyclo[2.2.1]hept-2-ene;tricyclo[5.2.1.02,6]dec-8-ene with MolForge

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Related Compounds

5-butylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene;5-heptylbicyclo[2.2.1]hept-2-ene;5-hexylbicyclo[2.2.1]hept-2-ene;methane;5-methylbicyclo[2.2.1]hept-2-ene;5-octylbicyclo[2.2.1]hept-2-ene;5-pentylbicyclo[2.2.1]hept-2-ene;5-propylbicyclo[2.2.1]hept-2-ene
CID 161408547
(1S,4S,5R)-5-ethylbicyclo[2.2.1]hept-2-ene
CID 96570682
5-butylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene
CID 160577628
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-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
[(1S,2R,4S)-2-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanamine
CID 15193955
2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methyl-1,3-dioxane
CID 22281035
2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)propan-2-ol;5-methylbicyclo[2.2.1]hept-2-ene
CID 142112482

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene;5-ethyl-5-methylbicyclo[2.2.1]hept-2-ene;5-methylbicyclo[2.2.1]hept-2-ene;5-propylbicyclo[2.2.1]hept-2-ene;tricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of 5,5-dimethylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene;5-ethyl-5-methylbicyclo[2.2.1]hept-2-ene;5-methylbicyclo[2.2.1]hept-2-ene;5-propylbicyclo[2.2.1]hept-2-ene;tricyclo[5.2.1.02,6]dec-8-ene (CID 159378738) is 5,5-dimethylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene;5-ethyl-5-methylbicyclo[2.2.1]hept-2-ene;5-methylbicyclo[2.2.1]hept-2-ene;5-propylbicyclo[2.2.1]hept-2-ene;tricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for 5,5-dimethylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene;5-ethyl-5-methylbicyclo[2.2.1]hept-2-ene;5-methylbicyclo[2.2.1]hept-2-ene;5-propylbicyclo[2.2.1]hept-2-ene;tricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for 5,5-dimethylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene;5-ethyl-5-methylbicyclo[2.2.1]hept-2-ene;5-methylbicyclo[2.2.1]hept-2-ene;5-propylbicyclo[2.2.1]hept-2-ene;tricyclo[5.2.1.02,6]dec-8-ene is C1=CC2CC1C1CCCC21.CC1(C)CC2C=CC1C2.CC1CC2C=CC1C2.CCC1(C)CC2C=CC1C2.CCC1CC2C=CC1C2.CCCC1CC2C=CC1C2.
What is the InChIKey of 5,5-dimethylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene;5-ethyl-5-methylbicyclo[2.2.1]hept-2-ene;5-methylbicyclo[2.2.1]hept-2-ene;5-propylbicyclo[2.2.1]hept-2-ene;tricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is LKQISZROYAASRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.2C10H16.2C9H14.C8H12/c1-2-9-7-4-5-8(6-7)10(9)3-1;1-3-10(2)7-8-4-5-9(10)6-8;1-2-3-9-6-8-4-5-10(9)7-8;1-9(2)6-7-3-4-8(9)5-7;1-2-8-5-7-3-4-9(8)6-7;1-6-4-7-2-3-8(6)5-7/h4-5,7-10H,1-3,6H2;4-5,8-9H,3,6-7H2,1-2H3;4-5,8-10H,2-3,6-7H2,1H3;3-4,7-8H,5-6H2,1-2H3;3-4,7-9H,2,5-6H2,1H3;2-3,6-8H,4-5H2,1H3.
What are the key properties of 5,5-dimethylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene;5-ethyl-5-methylbicyclo[2.2.1]hept-2-ene;5-methylbicyclo[2.2.1]hept-2-ene;5-propylbicyclo[2.2.1]hept-2-ene;tricyclo[5.2.1.02,6]dec-8-ene?
5,5-dimethylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene;5-ethyl-5-methylbicyclo[2.2.1]hept-2-ene;5-methylbicyclo[2.2.1]hept-2-ene;5-propylbicyclo[2.2.1]hept-2-ene;tricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 759.30 g/mol, XLogP of 16.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene;5-ethyl-5-methylbicyclo[2.2.1]hept-2-ene;5-methylbicyclo[2.2.1]hept-2-ene;5-propylbicyclo[2.2.1]hept-2-ene;tricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 159378738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).