9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-cyclohexyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-decyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene

C60H92 — CID 160562835

IUPAC9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-cyclohexyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-decyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESC1=CC2CC1C1C3CC(C4CCCCC4)C(C3)C21.C1=CC2CC1C1C3CC(CCC4CCCCC4)C(C3)C21.CCCCCCCCCCC1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C22H36.C20H30.C18H26/c1-2-3-4-5-6-7-8-9-10-16-13-19-15-20(16)22-18-12-11-17(14-18)21(19)22;1-2-4-13(5-3-1)6-7-14-10-17-12-18(14)20-16-9-8-15(11-16)19(17)20;1-2-4-11(5-3-1)15-9-14-10-16(15)18-13-7-6-12(8-13)17(14)18/h11-12,16-22H,2-10,13-15H2,1H3;8-9,13-20H,1-7,10-12H2;6-7,11-18H,1-5,8-10H2
InChIKeyQZNRAUUNJVTUJV-UHFFFAOYSA-N
MW813.40 g/mol
LogP16.71
Rot. Bonds13

About 9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-cyclohexyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-decyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene

9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-cyclohexyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-decyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene (PubChem CID 160562835) has the molecular formula C60H92 and a molecular weight of 813.40 g/mol. Its IUPAC name is 9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-cyclohexyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-decyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene.

Molecular Properties

Compound Name9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-cyclohexyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-decyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
PubChem CID160562835
Molecular FormulaC60H92
Molecular Weight813.40 g/mol
Exact Mass812.72
IUPAC Name9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-cyclohexyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-decyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESC1=CC2CC1C1C3CC(C4CCCCC4)C(C3)C21.C1=CC2CC1C1C3CC(CCC4CCCCC4)C(C3)C21.CCCCCCCCCCC1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C22H36.C20H30.C18H26/c1-2-3-4-5-6-7-8-9-10-16-13-19-15-20(16)22-18-12-11-17(14-18)21(19)22;1-2-4-13(5-3-1)6-7-14-10-17-12-18(14)20-16-9-8-15(11-16)19(17)20;1-2-4-11(5-3-1)15-9-14-10-16(15)18-13-7-6-12(8-13)17(14)18/h11-12,16-22H,2-10,13-15H2,1H3;8-9,13-20H,1-7,10-12H2;6-7,11-18H,1-5,8-10H2
InChIKeyQZNRAUUNJVTUJV-UHFFFAOYSA-N
XLogP16.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.40
LogP ≤ 516.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-cyclohexyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-decyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene with MolForge

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Related Compounds

9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-cyclohexyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl acetate
CID 160579123
9-cyclooctyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 172816215
9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene;4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl acetate
CID 158001966
2-cyclohexyl-3-(2-cyclohexylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58552713
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
tetradecylcyclododecane
CID 169026037
butyl 3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propanoate
CID 139807389
9-(1-butoxyethoxymethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 139891389
8-hexyltricyclo[5.2.1.02,6]decane
CID 18442200
(2-cyclohexyl-3-pentylcyclopentyl)cyclohexane
CID 58552183

Frequently Asked Questions

What is the IUPAC name of 9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-cyclohexyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-decyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The IUPAC name of 9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-cyclohexyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-decyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene (CID 160562835) is 9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-cyclohexyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-decyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene.
What is the SMILES notation for 9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-cyclohexyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-decyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The canonical SMILES for 9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-cyclohexyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-decyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene is C1=CC2CC1C1C3CC(C4CCCCC4)C(C3)C21.C1=CC2CC1C1C3CC(CCC4CCCCC4)C(C3)C21.CCCCCCCCCCC1CC2CC1C1C3C=CC(C3)C21.
What is the InChIKey of 9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-cyclohexyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-decyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The InChIKey is QZNRAUUNJVTUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36.C20H30.C18H26/c1-2-3-4-5-6-7-8-9-10-16-13-19-15-20(16)22-18-12-11-17(14-18)21(19)22;1-2-4-13(5-3-1)6-7-14-10-17-12-18(14)20-16-9-8-15(11-16)19(17)20;1-2-4-11(5-3-1)15-9-14-10-16(15)18-13-7-6-12(8-13)17(14)18/h11-12,16-22H,2-10,13-15H2,1H3;8-9,13-20H,1-7,10-12H2;6-7,11-18H,1-5,8-10H2.
What are the key properties of 9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-cyclohexyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-decyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-cyclohexyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-decyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene has a molecular weight of 813.40 g/mol, XLogP of 16.71, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-cyclohexyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-decyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene is sourced from PubChem (CID 160562835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).