pentacyclo[6.4.0.02,7.03,11.06,10]dodec-4-ene-9,12-dione

C12H10O2 — CID 90482653

IUPACpentacyclo[6.4.0.02,7.03,11.06,10]dodec-4-ene-9,12-dione
SMILESO=C1C2C3C=CC4C2C(=O)C2C1C3C42
InChIInChI=1S/C12H10O2/c13-11-7-3-1-2-4-6-5(3)9(11)10(6)12(14)8(4)7/h1-10H
InChIKeyQRAUHJYDFILDKP-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.68
Rot. Bonds

About pentacyclo[6.4.0.02,7.03,11.06,10]dodec-4-ene-9,12-dione

pentacyclo[6.4.0.02,7.03,11.06,10]dodec-4-ene-9,12-dione (PubChem CID 90482653) has the molecular formula C12H10O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is pentacyclo[6.4.0.02,7.03,11.06,10]dodec-4-ene-9,12-dione.

Molecular Properties

Compound Namepentacyclo[6.4.0.02,7.03,11.06,10]dodec-4-ene-9,12-dione
PubChem CID90482653
Molecular FormulaC12H10O2
Molecular Weight186.21 g/mol
Exact Mass186.07
IUPAC Namepentacyclo[6.4.0.02,7.03,11.06,10]dodec-4-ene-9,12-dione
SMILESO=C1C2C3C=CC4C2C(=O)C2C1C3C42
InChIInChI=1S/C12H10O2/c13-11-7-3-1-2-4-6-5(3)9(11)10(6)12(14)8(4)7/h1-10H
InChIKeyQRAUHJYDFILDKP-UHFFFAOYSA-N
XLogP0.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 pentacyclo[6.4.0.02,7.03,11.06,10]dodec-4-ene-9,12-dione?
The IUPAC name of pentacyclo[6.4.0.02,7.03,11.06,10]dodec-4-ene-9,12-dione (CID 90482653) is pentacyclo[6.4.0.02,7.03,11.06,10]dodec-4-ene-9,12-dione.
What is the SMILES notation for pentacyclo[6.4.0.02,7.03,11.06,10]dodec-4-ene-9,12-dione?
The canonical SMILES for pentacyclo[6.4.0.02,7.03,11.06,10]dodec-4-ene-9,12-dione is O=C1C2C3C=CC4C2C(=O)C2C1C3C42.
What is the InChIKey of pentacyclo[6.4.0.02,7.03,11.06,10]dodec-4-ene-9,12-dione?
The InChIKey is QRAUHJYDFILDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2/c13-11-7-3-1-2-4-6-5(3)9(11)10(6)12(14)8(4)7/h1-10H.
What are the key properties of pentacyclo[6.4.0.02,7.03,11.06,10]dodec-4-ene-9,12-dione?
pentacyclo[6.4.0.02,7.03,11.06,10]dodec-4-ene-9,12-dione has a molecular weight of 186.21 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[6.4.0.02,7.03,11.06,10]dodec-4-ene-9,12-dione is sourced from PubChem (CID 90482653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).