tricyclo[5.3.2.01,7]dodec-11-en-2-one

C12H16O — CID 13404790

IUPACtricyclo[5.3.2.01,7]dodec-11-en-2-one
SMILESO=C1CCCCC23C=CC12CCC3
InChIInChI=1S/C12H16O/c13-10-4-1-2-5-11-6-3-7-12(10,11)9-8-11/h8-9H,1-7H2
InChIKeyKSFUZEANZGFXBM-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.86
Rot. Bonds

About tricyclo[5.3.2.01,7]dodec-11-en-2-one

tricyclo[5.3.2.01,7]dodec-11-en-2-one (PubChem CID 13404790) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is tricyclo[5.3.2.01,7]dodec-11-en-2-one.

Molecular Properties

Compound Nametricyclo[5.3.2.01,7]dodec-11-en-2-one
PubChem CID13404790
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Nametricyclo[5.3.2.01,7]dodec-11-en-2-one
SMILESO=C1CCCCC23C=CC12CCC3
InChIInChI=1S/C12H16O/c13-10-4-1-2-5-11-6-3-7-12(10,11)9-8-11/h8-9H,1-7H2
InChIKeyKSFUZEANZGFXBM-UHFFFAOYSA-N
XLogP2.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

spiro[5.6]dodecane-5,12-dione
CID 534624
spiro[13.14]octacosan-28-one
CID 12738452
1-chloro-2-oxocyclohexane-1-carbaldehyde
CID 14926891
dispiro[2.0.34.43]undecan-11-one
CID 121217052
1-fluoro-2-oxocyclohexane-1-carboxylic acid
CID 19783079
2-chloro-2-fluorocycloheptan-1-one
CID 132839395
2,2-diethoxycyclodecan-1-one
CID 54056974
8,11,15,18-tetrazaspiro[5.13]nonadecan-5-one
CID 101251963
1-oxaspiro[4.5]decan-6-one
CID 14686607
(6R)-1-oxaspiro[5.5]undecan-11-one
CID 125451232
2,2-dimethoxycyclooctan-1-one
CID 54523284
2-fluoro-2-(2-fluoroacetyl)cyclohexan-1-one
CID 12847392

Frequently Asked Questions

What is the IUPAC name of tricyclo[5.3.2.01,7]dodec-11-en-2-one?
The IUPAC name of tricyclo[5.3.2.01,7]dodec-11-en-2-one (CID 13404790) is tricyclo[5.3.2.01,7]dodec-11-en-2-one.
What is the SMILES notation for tricyclo[5.3.2.01,7]dodec-11-en-2-one?
The canonical SMILES for tricyclo[5.3.2.01,7]dodec-11-en-2-one is O=C1CCCCC23C=CC12CCC3.
What is the InChIKey of tricyclo[5.3.2.01,7]dodec-11-en-2-one?
The InChIKey is KSFUZEANZGFXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c13-10-4-1-2-5-11-6-3-7-12(10,11)9-8-11/h8-9H,1-7H2.
What are the key properties of tricyclo[5.3.2.01,7]dodec-11-en-2-one?
tricyclo[5.3.2.01,7]dodec-11-en-2-one has a molecular weight of 176.26 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[5.3.2.01,7]dodec-11-en-2-one is sourced from PubChem (CID 13404790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).