9-(cyclohexen-1-yl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene

C18H24 — CID 91360961

IUPAC9-(cyclohexen-1-yl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESC1=CC2CC1C1C3CC(C4=CCCCC4)C(C3)C21
InChIInChI=1S/C18H24/c1-2-4-11(5-3-1)15-9-14-10-16(15)18-13-7-6-12(8-13)17(14)18/h4,6-7,12-18H,1-3,5,8-10H2
InChIKeyFCVMAJSEZDNJNX-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.58
Rot. Bonds1

About 9-(cyclohexen-1-yl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene

9-(cyclohexen-1-yl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene (PubChem CID 91360961) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 9-(cyclohexen-1-yl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene.

Molecular Properties

Compound Name9-(cyclohexen-1-yl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
PubChem CID91360961
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name9-(cyclohexen-1-yl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESC1=CC2CC1C1C3CC(C4=CCCCC4)C(C3)C21
InChIInChI=1S/C18H24/c1-2-4-11(5-3-1)15-9-14-10-16(15)18-13-7-6-12(8-13)17(14)18/h4,6-7,12-18H,1-3,5,8-10H2
InChIKeyFCVMAJSEZDNJNX-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.58
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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Frequently Asked Questions

What is the IUPAC name of 9-(cyclohexen-1-yl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The IUPAC name of 9-(cyclohexen-1-yl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene (CID 91360961) is 9-(cyclohexen-1-yl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene.
What is the SMILES notation for 9-(cyclohexen-1-yl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The canonical SMILES for 9-(cyclohexen-1-yl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene is C1=CC2CC1C1C3CC(C4=CCCCC4)C(C3)C21.
What is the InChIKey of 9-(cyclohexen-1-yl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The InChIKey is FCVMAJSEZDNJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-2-4-11(5-3-1)15-9-14-10-16(15)18-13-7-6-12(8-13)17(14)18/h4,6-7,12-18H,1-3,5,8-10H2.
What are the key properties of 9-(cyclohexen-1-yl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
9-(cyclohexen-1-yl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene has a molecular weight of 240.39 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclohexen-1-yl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene is sourced from PubChem (CID 91360961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).