5,9-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-diene-4,10-dione

C14H16O2 — CID 14337599

IUPAC5,9-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-diene-4,10-dione
SMILESCC1=C2CCC3(C)CC2(C=CC1=O)CC3=O
InChIInChI=1S/C14H16O2/c1-9-10-3-5-13(2)8-14(10,7-12(13)16)6-4-11(9)15/h4,6H,3,5,7-8H2,1-2H3
InChIKeyQQKSZYPIZQIDNU-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.59
Rot. Bonds

About 5,9-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-diene-4,10-dione

5,9-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-diene-4,10-dione (PubChem CID 14337599) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 5,9-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-diene-4,10-dione.

Molecular Properties

Compound Name5,9-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-diene-4,10-dione
PubChem CID14337599
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name5,9-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-diene-4,10-dione
SMILESCC1=C2CCC3(C)CC2(C=CC1=O)CC3=O
InChIInChI=1S/C14H16O2/c1-9-10-3-5-13(2)8-14(10,7-12(13)16)6-4-11(9)15/h4,6H,3,5,7-8H2,1-2H3
InChIKeyQQKSZYPIZQIDNU-UHFFFAOYSA-N
XLogP2.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,9-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-diene-4,10-dione?
The IUPAC name of 5,9-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-diene-4,10-dione (CID 14337599) is 5,9-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-diene-4,10-dione.
What is the SMILES notation for 5,9-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-diene-4,10-dione?
The canonical SMILES for 5,9-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-diene-4,10-dione is CC1=C2CCC3(C)CC2(C=CC1=O)CC3=O.
What is the InChIKey of 5,9-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-diene-4,10-dione?
The InChIKey is QQKSZYPIZQIDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-9-10-3-5-13(2)8-14(10,7-12(13)16)6-4-11(9)15/h4,6H,3,5,7-8H2,1-2H3.
What are the key properties of 5,9-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-diene-4,10-dione?
5,9-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-diene-4,10-dione has a molecular weight of 216.28 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-diene-4,10-dione is sourced from PubChem (CID 14337599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).