9-tert-butyl-10-ethenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene

C18H26 — CID 123942516

IUPAC9-tert-butyl-10-ethenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESC=CC1C2CC(C3C4C=CC(C4)C23)C1C(C)(C)C
InChIInChI=1S/C18H26/c1-5-12-13-9-14(17(12)18(2,3)4)16-11-7-6-10(8-11)15(13)16/h5-7,10-17H,1,8-9H2,2-4H3
InChIKeyNWYGNLQCTHIATO-UHFFFAOYSA-N
MW242.41 g/mol
LogP4.54
Rot. Bonds1

About 9-tert-butyl-10-ethenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene

9-tert-butyl-10-ethenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene (PubChem CID 123942516) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 9-tert-butyl-10-ethenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene.

Molecular Properties

Compound Name9-tert-butyl-10-ethenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
PubChem CID123942516
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name9-tert-butyl-10-ethenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESC=CC1C2CC(C3C4C=CC(C4)C23)C1C(C)(C)C
InChIInChI=1S/C18H26/c1-5-12-13-9-14(17(12)18(2,3)4)16-11-7-6-10(8-11)15(13)16/h5-7,10-17H,1,8-9H2,2-4H3
InChIKeyNWYGNLQCTHIATO-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5,6-bis(ethenyl)bicyclo[2.2.1]hept-2-ene
CID 23119553
5,6-ditert-butylbicyclo[2.2.1]hept-2-ene
CID 20593329
tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene
CID 521932
tert-butyl 5-hydroxytetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 139892607
pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene
CID 14458344
3-ethenyltricyclo[6.2.1.02,7]undec-9-ene
CID 154525054
pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene-10,12-dione
CID 20720524
hexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-ene-4,5-diol
CID 139797029
hexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadeca-6,13-diene
CID 100957910
heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene
CID 22949633
tert-butyl 5-(hydroxymethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 139892609
9,10-bis(methoxymethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 59748363

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-10-ethenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The IUPAC name of 9-tert-butyl-10-ethenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene (CID 123942516) is 9-tert-butyl-10-ethenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene.
What is the SMILES notation for 9-tert-butyl-10-ethenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The canonical SMILES for 9-tert-butyl-10-ethenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene is C=CC1C2CC(C3C4C=CC(C4)C23)C1C(C)(C)C.
What is the InChIKey of 9-tert-butyl-10-ethenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The InChIKey is NWYGNLQCTHIATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26/c1-5-12-13-9-14(17(12)18(2,3)4)16-11-7-6-10(8-11)15(13)16/h5-7,10-17H,1,8-9H2,2-4H3.
What are the key properties of 9-tert-butyl-10-ethenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
9-tert-butyl-10-ethenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene has a molecular weight of 242.41 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-10-ethenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene is sourced from PubChem (CID 123942516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).