5-(2-bicyclo[2.2.1]hept-5-enylmethyl)bicyclo[2.2.1]hept-2-ene;nonacyclo[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene;pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene;pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene;pentacyclo[8.2.1.14,7.02,9.03,8]tetradeca-5,11-diene

C87H108 — CID 160782512

IUPAC5-(2-bicyclo[2.2.1]hept-5-enylmethyl)bicyclo[2.2.1]hept-2-ene;nonacyclo[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene;pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene;pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene;pentacyclo[8.2.1.14,7.02,9.03,8]tetradeca-5,11-diene
SMILESC1=CC2CC1C1C2C2C3C=CC(C3)C12.C1=CC2CC1C1C3CC(C21)C1C3C2C3CC(C4C5C=CC(C5)C34)C12.C1=CC2CC1C1CC3C4C=CC(C4)C3CC21.C1=CC2CC1C1CCC3C4C=CC(C4)C3CCC21.C1=CC2CC1CC2CC1CC2C=CC1C2
InChIInChI=1S/C24H28.C18H24.C16H20.C15H20.C14H16/c1-2-10-5-9(1)17-13-7-14(18(10)17)22-21(13)23-15-8-16(24(22)23)20-12-4-3-11(6-12)19(15)20;1-2-12-9-11(1)15-5-6-17-13-3-4-14(10-13)18(17)8-7-16(12)15;1-2-10-5-9(1)13-7-15-11-3-4-12(6-11)16(15)8-14(10)13;1-3-12-5-10(1)7-14(12)9-15-8-11-2-4-13(15)6-11;1-2-8-5-7(1)11-12(8)14-10-4-3-9(6-10)13(11)14/h1-4,9-24H,5-8H2;1-4,11-18H,5-10H2;1-4,9-16H,5-8H2;1-4,10-15H,5-9H2;1-4,7-14H,5-6H2
InChIKeySATLXERVIXBMKA-UHFFFAOYSA-N
MW1153.82 g/mol
LogP19.41
Rot. Bonds2

About 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)bicyclo[2.2.1]hept-2-ene;nonacyclo[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene;pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene;pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene;pentacyclo[8.2.1.14,7.02,9.03,8]tetradeca-5,11-diene

5-(2-bicyclo[2.2.1]hept-5-enylmethyl)bicyclo[2.2.1]hept-2-ene;nonacyclo[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene;pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene;pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene;pentacyclo[8.2.1.14,7.02,9.03,8]tetradeca-5,11-diene (PubChem CID 160782512) has the molecular formula C87H108 and a molecular weight of 1153.82 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)bicyclo[2.2.1]hept-2-ene;nonacyclo[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene;pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene;pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene;pentacyclo[8.2.1.14,7.02,9.03,8]tetradeca-5,11-diene.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]hept-5-enylmethyl)bicyclo[2.2.1]hept-2-ene;nonacyclo[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene;pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene;pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene;pentacyclo[8.2.1.14,7.02,9.03,8]tetradeca-5,11-diene
PubChem CID160782512
Molecular FormulaC87H108
Molecular Weight1153.82 g/mol
Exact Mass1152.85
IUPAC Name5-(2-bicyclo[2.2.1]hept-5-enylmethyl)bicyclo[2.2.1]hept-2-ene;nonacyclo[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene;pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene;pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene;pentacyclo[8.2.1.14,7.02,9.03,8]tetradeca-5,11-diene
SMILESC1=CC2CC1C1C2C2C3C=CC(C3)C12.C1=CC2CC1C1C3CC(C21)C1C3C2C3CC(C4C5C=CC(C5)C34)C12.C1=CC2CC1C1CC3C4C=CC(C4)C3CC21.C1=CC2CC1C1CCC3C4C=CC(C4)C3CCC21.C1=CC2CC1CC2CC1CC2C=CC1C2
InChIInChI=1S/C24H28.C18H24.C16H20.C15H20.C14H16/c1-2-10-5-9(1)17-13-7-14(18(10)17)22-21(13)23-15-8-16(24(22)23)20-12-4-3-11(6-12)19(15)20;1-2-12-9-11(1)15-5-6-17-13-3-4-14(10-13)18(17)8-7-16(12)15;1-2-10-5-9(1)13-7-15-11-3-4-12(6-11)16(15)8-14(10)13;1-3-12-5-10(1)7-14(12)9-15-8-11-2-4-13(15)6-11;1-2-8-5-7(1)11-12(8)14-10-4-3-9(6-10)13(11)14/h1-4,9-24H,5-8H2;1-4,11-18H,5-10H2;1-4,9-16H,5-8H2;1-4,10-15H,5-9H2;1-4,7-14H,5-6H2
InChIKeySATLXERVIXBMKA-UHFFFAOYSA-N
XLogP19.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001153.82
LogP ≤ 519.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cycloheptane_1', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)bicyclo[2.2.1]hept-2-ene;nonacyclo[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene;pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene;pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene;pentacyclo[8.2.1.14,7.02,9.03,8]tetradeca-5,11-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)bicyclo[2.2.1]hept-2-ene;nonacyclo[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene;pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene;pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene;pentacyclo[8.2.1.14,7.02,9.03,8]tetradeca-5,11-diene?
The IUPAC name of 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)bicyclo[2.2.1]hept-2-ene;nonacyclo[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene;pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene;pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene;pentacyclo[8.2.1.14,7.02,9.03,8]tetradeca-5,11-diene (CID 160782512) is 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)bicyclo[2.2.1]hept-2-ene;nonacyclo[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene;pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene;pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene;pentacyclo[8.2.1.14,7.02,9.03,8]tetradeca-5,11-diene.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)bicyclo[2.2.1]hept-2-ene;nonacyclo[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene;pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene;pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene;pentacyclo[8.2.1.14,7.02,9.03,8]tetradeca-5,11-diene?
The canonical SMILES for 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)bicyclo[2.2.1]hept-2-ene;nonacyclo[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene;pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene;pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene;pentacyclo[8.2.1.14,7.02,9.03,8]tetradeca-5,11-diene is C1=CC2CC1C1C2C2C3C=CC(C3)C12.C1=CC2CC1C1C3CC(C21)C1C3C2C3CC(C4C5C=CC(C5)C34)C12.C1=CC2CC1C1CC3C4C=CC(C4)C3CC21.C1=CC2CC1C1CCC3C4C=CC(C4)C3CCC21.C1=CC2CC1CC2CC1CC2C=CC1C2.
What is the InChIKey of 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)bicyclo[2.2.1]hept-2-ene;nonacyclo[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene;pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene;pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene;pentacyclo[8.2.1.14,7.02,9.03,8]tetradeca-5,11-diene?
The InChIKey is SATLXERVIXBMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28.C18H24.C16H20.C15H20.C14H16/c1-2-10-5-9(1)17-13-7-14(18(10)17)22-21(13)23-15-8-16(24(22)23)20-12-4-3-11(6-12)19(15)20;1-2-12-9-11(1)15-5-6-17-13-3-4-14(10-13)18(17)8-7-16(12)15;1-2-10-5-9(1)13-7-15-11-3-4-12(6-11)16(15)8-14(10)13;1-3-12-5-10(1)7-14(12)9-15-8-11-2-4-13(15)6-11;1-2-8-5-7(1)11-12(8)14-10-4-3-9(6-10)13(11)14/h1-4,9-24H,5-8H2;1-4,11-18H,5-10H2;1-4,9-16H,5-8H2;1-4,10-15H,5-9H2;1-4,7-14H,5-6H2.
What are the key properties of 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)bicyclo[2.2.1]hept-2-ene;nonacyclo[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene;pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene;pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene;pentacyclo[8.2.1.14,7.02,9.03,8]tetradeca-5,11-diene?
5-(2-bicyclo[2.2.1]hept-5-enylmethyl)bicyclo[2.2.1]hept-2-ene;nonacyclo[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene;pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene;pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene;pentacyclo[8.2.1.14,7.02,9.03,8]tetradeca-5,11-diene has a molecular weight of 1153.82 g/mol, XLogP of 19.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)bicyclo[2.2.1]hept-2-ene;nonacyclo[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene;pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene;pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene;pentacyclo[8.2.1.14,7.02,9.03,8]tetradeca-5,11-diene is sourced from PubChem (CID 160782512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).