tricyclo[5.4.1.02,6]dodec-4-en-9-ol

C12H18O — CID 163650056

IUPACtricyclo[5.4.1.02,6]dodec-4-en-9-ol
SMILESOC1CCC2CC(C1)C1C=CCC21
InChIInChI=1S/C12H18O/c13-10-5-4-8-6-9(7-10)12-3-1-2-11(8)12/h1,3,8-13H,2,4-7H2
InChIKeyILMRFXCXCMCWBN-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.36
Rot. Bonds

About tricyclo[5.4.1.02,6]dodec-4-en-9-ol

tricyclo[5.4.1.02,6]dodec-4-en-9-ol (PubChem CID 163650056) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is tricyclo[5.4.1.02,6]dodec-4-en-9-ol.

Molecular Properties

Compound Nametricyclo[5.4.1.02,6]dodec-4-en-9-ol
PubChem CID163650056
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Nametricyclo[5.4.1.02,6]dodec-4-en-9-ol
SMILESOC1CCC2CC(C1)C1C=CCC21
InChIInChI=1S/C12H18O/c13-10-5-4-8-6-9(7-10)12-3-1-2-11(8)12/h1,3,8-13H,2,4-7H2
InChIKeyILMRFXCXCMCWBN-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tricyclo[5.4.1.02,6]dodec-4-en-9-ol?
The IUPAC name of tricyclo[5.4.1.02,6]dodec-4-en-9-ol (CID 163650056) is tricyclo[5.4.1.02,6]dodec-4-en-9-ol.
What is the SMILES notation for tricyclo[5.4.1.02,6]dodec-4-en-9-ol?
The canonical SMILES for tricyclo[5.4.1.02,6]dodec-4-en-9-ol is OC1CCC2CC(C1)C1C=CCC21.
What is the InChIKey of tricyclo[5.4.1.02,6]dodec-4-en-9-ol?
The InChIKey is ILMRFXCXCMCWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c13-10-5-4-8-6-9(7-10)12-3-1-2-11(8)12/h1,3,8-13H,2,4-7H2.
What are the key properties of tricyclo[5.4.1.02,6]dodec-4-en-9-ol?
tricyclo[5.4.1.02,6]dodec-4-en-9-ol has a molecular weight of 178.28 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[5.4.1.02,6]dodec-4-en-9-ol is sourced from PubChem (CID 163650056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).