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

C101H188 — CID 161408547

IUPAC5-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
SMILESC.C.C.C.C.C.C.C.C.CC1CC2C=CC1C2.CCC1CC2C=CC1C2.CCCC1CC2C=CC1C2.CCCCC1CC2C=CC1C2.CCCCCC1CC2C=CC1C2.CCCCCCC1CC2C=CC1C2.CCCCCCCC1CC2C=CC1C2.CCCCCCCCC1CC2C=CC1C2
InChIInChI=1S/C15H26.C14H24.C13H22.C12H20.C11H18.C10H16.C9H14.C8H12.9CH4/c1-2-3-4-5-6-7-8-14-11-13-9-10-15(14)12-13;1-2-3-4-5-6-7-13-10-12-8-9-14(13)11-12;1-2-3-4-5-6-12-9-11-7-8-13(12)10-11;1-2-3-4-5-11-8-10-6-7-12(11)9-10;1-2-3-4-10-7-9-5-6-11(10)8-9;1-2-3-9-6-8-4-5-10(9)7-8;1-2-8-5-7-3-4-9(8)6-7;1-6-4-7-2-3-8(6)5-7;;;;;;;;;/h9-10,13-15H,2-8,11-12H2,1H3;8-9,12-14H,2-7,10-11H2,1H3;7-8,11-13H,2-6,9-10H2,1H3;6-7,10-12H,2-5,8-9H2,1H3;5-6,9-11H,2-4,7-8H2,1H3;4-5,8-10H,2-3,6-7H2,1H3;3-4,7-9H,2,5-6H2,1H3;2-3,6-8H,4-5H2,1H3;9*1H4
InChIKeyVVEABWFYUNHINB-UHFFFAOYSA-N
MW1402.61 g/mol
LogP34.40
Rot. Bonds28

About 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

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 (PubChem CID 161408547) has the molecular formula C101H188 and a molecular weight of 1402.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID161408547
Molecular FormulaC101H188
Molecular Weight1402.61 g/mol
Exact Mass1401.47
IUPAC Name5-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
SMILESC.C.C.C.C.C.C.C.C.CC1CC2C=CC1C2.CCC1CC2C=CC1C2.CCCC1CC2C=CC1C2.CCCCC1CC2C=CC1C2.CCCCCC1CC2C=CC1C2.CCCCCCC1CC2C=CC1C2.CCCCCCCC1CC2C=CC1C2.CCCCCCCCC1CC2C=CC1C2
InChIInChI=1S/C15H26.C14H24.C13H22.C12H20.C11H18.C10H16.C9H14.C8H12.9CH4/c1-2-3-4-5-6-7-8-14-11-13-9-10-15(14)12-13;1-2-3-4-5-6-7-13-10-12-8-9-14(13)11-12;1-2-3-4-5-6-12-9-11-7-8-13(12)10-11;1-2-3-4-5-11-8-10-6-7-12(11)9-10;1-2-3-4-10-7-9-5-6-11(10)8-9;1-2-3-9-6-8-4-5-10(9)7-8;1-2-8-5-7-3-4-9(8)6-7;1-6-4-7-2-3-8(6)5-7;;;;;;;;;/h9-10,13-15H,2-8,11-12H2,1H3;8-9,12-14H,2-7,10-11H2,1H3;7-8,11-13H,2-6,9-10H2,1H3;6-7,10-12H,2-5,8-9H2,1H3;5-6,9-11H,2-4,7-8H2,1H3;4-5,8-10H,2-3,6-7H2,1H3;3-4,7-9H,2,5-6H2,1H3;2-3,6-8H,4-5H2,1H3;9*1H4
InChIKeyVVEABWFYUNHINB-UHFFFAOYSA-N
XLogP34.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001402.61
LogP ≤ 534.40
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'}

Analyze 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 with MolForge

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Related Compounds

5-butylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene
CID 160577628
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
(1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene
CID 55250323
(1S,4S,5R)-5-ethylbicyclo[2.2.1]hept-2-ene
CID 96570682
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
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
4-(2-bicyclo[2.2.1]hept-5-enyl)-N,N-dipropylbutan-1-amine
CID 21426217
5-butylbicyclo[2.2.1]hept-2-ene;furan-2,5-dione
CID 131731366
5-(8-methoxyoctyl)bicyclo[2.2.1]hept-2-ene
CID 59748193

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.C.C.C.C.C.C.CC1CC2C=CC1C2.CCC1CC2C=CC1C2.CCCC1CC2C=CC1C2.CCCCC1CC2C=CC1C2.CCCCCC1CC2C=CC1C2.CCCCCCC1CC2C=CC1C2.CCCCCCCC1CC2C=CC1C2.CCCCCCCCC1CC2C=CC1C2.
What is the InChIKey of 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?
The InChIKey is VVEABWFYUNHINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26.C14H24.C13H22.C12H20.C11H18.C10H16.C9H14.C8H12.9CH4/c1-2-3-4-5-6-7-8-14-11-13-9-10-15(14)12-13;1-2-3-4-5-6-7-13-10-12-8-9-14(13)11-12;1-2-3-4-5-6-12-9-11-7-8-13(12)10-11;1-2-3-4-5-11-8-10-6-7-12(11)9-10;1-2-3-4-10-7-9-5-6-11(10)8-9;1-2-3-9-6-8-4-5-10(9)7-8;1-2-8-5-7-3-4-9(8)6-7;1-6-4-7-2-3-8(6)5-7;;;;;;;;;/h9-10,13-15H,2-8,11-12H2,1H3;8-9,12-14H,2-7,10-11H2,1H3;7-8,11-13H,2-6,9-10H2,1H3;6-7,10-12H,2-5,8-9H2,1H3;5-6,9-11H,2-4,7-8H2,1H3;4-5,8-10H,2-3,6-7H2,1H3;3-4,7-9H,2,5-6H2,1H3;2-3,6-8H,4-5H2,1H3;9*1H4.
What are the key properties of 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?
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 has a molecular weight of 1402.61 g/mol, XLogP of 34.40, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161408547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).