6,6,14,14-tetramethyltricyclo[9.5.0.03,9]hexadeca-1(11),3(9),4,7,12,15-hexaene-2,10-dione

C20H20O2 — CID 142049970

IUPAC6,6,14,14-tetramethyltricyclo[9.5.0.03,9]hexadeca-1(11),3(9),4,7,12,15-hexaene-2,10-dione
SMILESCC1(C)C=CC2=C(C=C1)C(=O)C1=C(C=CC(C)(C)C=C1)C2=O
InChIInChI=1S/C20H20O2/c1-19(2)9-5-13-14(6-10-19)18(22)16-8-12-20(3,4)11-7-15(16)17(13)21/h5-12H,1-4H3
InChIKeyYGJUPTQEEWOLPI-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.04
Rot. Bonds

About 6,6,14,14-tetramethyltricyclo[9.5.0.03,9]hexadeca-1(11),3(9),4,7,12,15-hexaene-2,10-dione

6,6,14,14-tetramethyltricyclo[9.5.0.03,9]hexadeca-1(11),3(9),4,7,12,15-hexaene-2,10-dione (PubChem CID 142049970) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 6,6,14,14-tetramethyltricyclo[9.5.0.03,9]hexadeca-1(11),3(9),4,7,12,15-hexaene-2,10-dione.

Molecular Properties

Compound Name6,6,14,14-tetramethyltricyclo[9.5.0.03,9]hexadeca-1(11),3(9),4,7,12,15-hexaene-2,10-dione
PubChem CID142049970
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name6,6,14,14-tetramethyltricyclo[9.5.0.03,9]hexadeca-1(11),3(9),4,7,12,15-hexaene-2,10-dione
SMILESCC1(C)C=CC2=C(C=C1)C(=O)C1=C(C=CC(C)(C)C=C1)C2=O
InChIInChI=1S/C20H20O2/c1-19(2)9-5-13-14(6-10-19)18(22)16-8-12-20(3,4)11-7-15(16)17(13)21/h5-12H,1-4H3
InChIKeyYGJUPTQEEWOLPI-UHFFFAOYSA-N
XLogP4.04
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6,6,14,14-tetramethyltricyclo[9.5.0.03,9]hexadeca-1(11),3(9),4,7,12,15-hexaene-2,10-dione?
The IUPAC name of 6,6,14,14-tetramethyltricyclo[9.5.0.03,9]hexadeca-1(11),3(9),4,7,12,15-hexaene-2,10-dione (CID 142049970) is 6,6,14,14-tetramethyltricyclo[9.5.0.03,9]hexadeca-1(11),3(9),4,7,12,15-hexaene-2,10-dione.
What is the SMILES notation for 6,6,14,14-tetramethyltricyclo[9.5.0.03,9]hexadeca-1(11),3(9),4,7,12,15-hexaene-2,10-dione?
The canonical SMILES for 6,6,14,14-tetramethyltricyclo[9.5.0.03,9]hexadeca-1(11),3(9),4,7,12,15-hexaene-2,10-dione is CC1(C)C=CC2=C(C=C1)C(=O)C1=C(C=CC(C)(C)C=C1)C2=O.
What is the InChIKey of 6,6,14,14-tetramethyltricyclo[9.5.0.03,9]hexadeca-1(11),3(9),4,7,12,15-hexaene-2,10-dione?
The InChIKey is YGJUPTQEEWOLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2/c1-19(2)9-5-13-14(6-10-19)18(22)16-8-12-20(3,4)11-7-15(16)17(13)21/h5-12H,1-4H3.
What are the key properties of 6,6,14,14-tetramethyltricyclo[9.5.0.03,9]hexadeca-1(11),3(9),4,7,12,15-hexaene-2,10-dione?
6,6,14,14-tetramethyltricyclo[9.5.0.03,9]hexadeca-1(11),3(9),4,7,12,15-hexaene-2,10-dione has a molecular weight of 292.38 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,14,14-tetramethyltricyclo[9.5.0.03,9]hexadeca-1(11),3(9),4,7,12,15-hexaene-2,10-dione is sourced from PubChem (CID 142049970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).