tricyclo[5.3.2.04,9]dodec-1-ene

C12H18 — CID 90789681

IUPACtricyclo[5.3.2.04,9]dodec-1-ene
SMILESC1=C2CCC3CCC(C1)C(C2)C3
InChIInChI=1S/C12H18/c1-2-10-4-6-11-5-3-9(1)7-12(11)8-10/h3,10-12H,1-2,4-8H2
InChIKeyGTBKQEXEKMCKMY-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.53
Rot. Bonds

About tricyclo[5.3.2.04,9]dodec-1-ene

tricyclo[5.3.2.04,9]dodec-1-ene (PubChem CID 90789681) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is tricyclo[5.3.2.04,9]dodec-1-ene.

Molecular Properties

Compound Nametricyclo[5.3.2.04,9]dodec-1-ene
PubChem CID90789681
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Nametricyclo[5.3.2.04,9]dodec-1-ene
SMILESC1=C2CCC3CCC(C1)C(C2)C3
InChIInChI=1S/C12H18/c1-2-10-4-6-11-5-3-9(1)7-12(11)8-10/h3,10-12H,1-2,4-8H2
InChIKeyGTBKQEXEKMCKMY-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(bicyclo[2.2.1]hept-1-ene);sulfane
CID 89183928
bicyclo[2.2.1]hept-1-ene
CID 19832543
octakis(bicyclo[2.2.1]hept-1-ene);sulfane
CID 70150829
azane;bicyclo[2.2.1]hept-1-ene
CID 18468857
bicyclo[2.2.1]hept-1-ene;molecular nitrogen
CID 70010786
(1R,3R,6E)-tricyclo[5.5.1.13,10]tetradec-6-ene
CID 59991567
bicyclo[2.2.1]hept-1-ene;carbonic acid
CID 66864121
tricyclo[5.3.2.04,9]dodecane
CID 54490019
2,7-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene
CID 176921529
2-bicyclo[2.2.1]hept-4-enylmethyl(dichloro)silane
CID 123855104
(5S)-2-methylbicyclo[3.2.1]octane
CID 154516111
tricyclo[9.3.1.03,8]pentadec-11-ene
CID 18736925

Frequently Asked Questions

What is the IUPAC name of tricyclo[5.3.2.04,9]dodec-1-ene?
The IUPAC name of tricyclo[5.3.2.04,9]dodec-1-ene (CID 90789681) is tricyclo[5.3.2.04,9]dodec-1-ene.
What is the SMILES notation for tricyclo[5.3.2.04,9]dodec-1-ene?
The canonical SMILES for tricyclo[5.3.2.04,9]dodec-1-ene is C1=C2CCC3CCC(C1)C(C2)C3.
What is the InChIKey of tricyclo[5.3.2.04,9]dodec-1-ene?
The InChIKey is GTBKQEXEKMCKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-2-10-4-6-11-5-3-9(1)7-12(11)8-10/h3,10-12H,1-2,4-8H2.
What are the key properties of tricyclo[5.3.2.04,9]dodec-1-ene?
tricyclo[5.3.2.04,9]dodec-1-ene has a molecular weight of 162.28 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[5.3.2.04,9]dodec-1-ene is sourced from PubChem (CID 90789681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).