2-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]oxirane;2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxirane;2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxirane;2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)oxirane;3-(2-bicyclo[2.2.1]hept-5-enyl)-7-oxabicyclo[4.1.0]heptane;5-hexadecylbicyclo[2.2.1]hept-2-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene

C107H174O6 — CID 163924042

About 2-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]oxirane;2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxirane;2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxirane;2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)oxirane;3-(2-bicyclo[2.2.1]hept-5-enyl)-7-oxabicyclo[4.1.0]heptane;5-hexadecylbicyclo[2.2.1]hept-2-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene

2-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]oxirane;2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxirane;2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxirane;2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)oxirane;3-(2-bicyclo[2.2.1]hept-5-enyl)-7-oxabicyclo[4.1.0]heptane;5-hexadecylbicyclo[2.2.1]hept-2-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene (PubChem CID 163924042) has the molecular formula C107H174O6 and a molecular weight of 1556.56 g/mol. Its IUPAC name is 2-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]oxirane;2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxirane;2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxirane;2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)oxirane;3-(2-bicyclo[2.2.1]hept-5-enyl)-7-oxabicyclo[4.1.0]heptane;5-hexadecylbicyclo[2.2.1]hept-2-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

• Compound Name: 2-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]oxirane;2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxirane;2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxirane;2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)oxirane;3-(2-bicyclo[2.2.1]hept-5-enyl)-7-oxabicyclo[4.1.0]heptane;5-hexadecylbicyclo[2.2.1]hept-2-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene
• PubChem CID: 163924042
• Molecular Formula: C107H174O6
• Molecular Weight: 1556.56 g/mol
• Exact Mass: 1555.33
• IUPAC Name: 2-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]oxirane;2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxirane;2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxirane;2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)oxirane;3-(2-bicyclo[2.2.1]hept-5-enyl)-7-oxabicyclo[4.1.0]heptane;5-hexadecylbicyclo[2.2.1]hept-2-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene
• SMILES: C1=CC2CC1CC2C1CCC2OC2C1.C1=CC2CC1CC2CCC1CO1.C1=CC2CC1CC2CCCCC1CO1.C1=CC2CC1CC2CCCCCCC1CO1.C1=CC2CC1CC2COCC1CO1.CCCCCCCCCCCCCCC1CC2C=CC1C2.CCCCCCCCCCCCCCCCC1CC2C=CC1C2
• InChI: InChI=1S/C23H42.C21H38.C15H24O.C13H18O.C13H20O.C11H16O2.C11H16O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-19-21-17-18-23(22)20-21;1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-17-19-15-16-21(20)18-19;1(2-4-6-15-11-16-15)3-5-13-9-12-7-8-14(13)10-12;1-2-9-5-8(1)6-11(9)10-3-4-12-13(7-10)14-12;1(2-4-13-9-14-13)3-11-7-10-5-6-12(11)8-10;1-2-9-3-8(1)4-10(9)5-12-6-11-7-13-11;1-2-9-5-8(1)6-10(9)3-4-11-7-12-11/h17-18,21-23H,2-16,19-20H2,1H3;15-16,19-21H,2-14,17-18H2,1H3;7-8,12-15H,1-6,9-11H2;1-2,8-13H,3-7H2;5-6,10-13H,1-4,7-9H2;1-2,8-11H,3-7H2;1-2,8-11H,3-7H2
• InChIKey: RCXCKOJENWAIBP-UHFFFAOYSA-N
• XLogP: 29.21
• TPSA: 71.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 48
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1556.56
LogP ≤ 5	29.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]oxirane;2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxirane;2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxirane;2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)oxirane;3-(2-bicyclo[2.2.1]hept-5-enyl)-7-oxabicyclo[4.1.0]heptane;5-hexadecylbicyclo[2.2.1]hept-2-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene?

The IUPAC name of 2-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]oxirane;2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxirane;2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxirane;2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)oxirane;3-(2-bicyclo[2.2.1]hept-5-enyl)-7-oxabicyclo[4.1.0]heptane;5-hexadecylbicyclo[2.2.1]hept-2-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene (CID 163924042) is 2-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]oxirane;2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxirane;2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxirane;2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)oxirane;3-(2-bicyclo[2.2.1]hept-5-enyl)-7-oxabicyclo[4.1.0]heptane;5-hexadecylbicyclo[2.2.1]hept-2-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene.

What is the SMILES notation for 2-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]oxirane;2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxirane;2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxirane;2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)oxirane;3-(2-bicyclo[2.2.1]hept-5-enyl)-7-oxabicyclo[4.1.0]heptane;5-hexadecylbicyclo[2.2.1]hept-2-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene?

The canonical SMILES for 2-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]oxirane;2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxirane;2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxirane;2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)oxirane;3-(2-bicyclo[2.2.1]hept-5-enyl)-7-oxabicyclo[4.1.0]heptane;5-hexadecylbicyclo[2.2.1]hept-2-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene is C1=CC2CC1CC2C1CCC2OC2C1.C1=CC2CC1CC2CCC1CO1.C1=CC2CC1CC2CCCCC1CO1.C1=CC2CC1CC2CCCCCCC1CO1.C1=CC2CC1CC2COCC1CO1.CCCCCCCCCCCCCCC1CC2C=CC1C2.CCCCCCCCCCCCCCCCC1CC2C=CC1C2.

What is the InChIKey of 2-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]oxirane;2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxirane;2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxirane;2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)oxirane;3-(2-bicyclo[2.2.1]hept-5-enyl)-7-oxabicyclo[4.1.0]heptane;5-hexadecylbicyclo[2.2.1]hept-2-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene?

The InChIKey is RCXCKOJENWAIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42.C21H38.C15H24O.C13H18O.C13H20O.C11H16O2.C11H16O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-19-21-17-18-23(22)20-21;1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-17-19-15-16-21(20)18-19;1(2-4-6-15-11-16-15)3-5-13-9-12-7-8-14(13)10-12;1-2-9-5-8(1)6-11(9)10-3-4-12-13(7-10)14-12;1(2-4-13-9-14-13)3-11-7-10-5-6-12(11)8-10;1-2-9-3-8(1)4-10(9)5-12-6-11-7-13-11;1-2-9-5-8(1)6-10(9)3-4-11-7-12-11/h17-18,21-23H,2-16,19-20H2,1H3;15-16,19-21H,2-14,17-18H2,1H3;7-8,12-15H,1-6,9-11H2;1-2,8-13H,3-7H2;5-6,10-13H,1-4,7-9H2;1-2,8-11H,3-7H2;1-2,8-11H,3-7H2.

What are the key properties of 2-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]oxirane;2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxirane;2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxirane;2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)oxirane;3-(2-bicyclo[2.2.1]hept-5-enyl)-7-oxabicyclo[4.1.0]heptane;5-hexadecylbicyclo[2.2.1]hept-2-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene?

2-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]oxirane;2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxirane;2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxirane;2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)oxirane;3-(2-bicyclo[2.2.1]hept-5-enyl)-7-oxabicyclo[4.1.0]heptane;5-hexadecylbicyclo[2.2.1]hept-2-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene has a molecular weight of 1556.56 g/mol, XLogP of 29.21, 48 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]oxirane;2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxirane;2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxirane;2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)oxirane;3-(2-bicyclo[2.2.1]hept-5-enyl)-7-oxabicyclo[4.1.0]heptane;5-hexadecylbicyclo[2.2.1]hept-2-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 163924042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).