1,3,5,7-tetramethyltricyclo[5.1.0.03,5]octane-2,6-dione

C12H16O2 — CID 535012

IUPAC1,3,5,7-tetramethyltricyclo[5.1.0.03,5]octane-2,6-dione
SMILESCC12CC1(C)C(=O)C1(C)CC1(C)C2=O
InChIInChI=1S/C12H16O2/c1-9-5-10(9,2)8(14)12(4)6-11(12,3)7(9)13/h5-6H2,1-4H3
InChIKeyBQPCLLPLCLJTSD-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.97
Rot. Bonds

About 1,3,5,7-tetramethyltricyclo[5.1.0.03,5]octane-2,6-dione

1,3,5,7-tetramethyltricyclo[5.1.0.03,5]octane-2,6-dione (PubChem CID 535012) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1,3,5,7-tetramethyltricyclo[5.1.0.03,5]octane-2,6-dione.

Molecular Properties

Compound Name1,3,5,7-tetramethyltricyclo[5.1.0.03,5]octane-2,6-dione
PubChem CID535012
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1,3,5,7-tetramethyltricyclo[5.1.0.03,5]octane-2,6-dione
SMILESCC12CC1(C)C(=O)C1(C)CC1(C)C2=O
InChIInChI=1S/C12H16O2/c1-9-5-10(9,2)8(14)12(4)6-11(12,3)7(9)13/h5-6H2,1-4H3
InChIKeyBQPCLLPLCLJTSD-UHFFFAOYSA-N
XLogP1.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 98524070
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CID 5062783
2,2,7,7-tetramethylcyclohept-4-en-1-one
CID 10986628
(1S,4R)-1,3,3,4-tetramethylbicyclo[2.2.1]heptan-2-one
CID 130991578
5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
CID 3346078
5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
CID 586797
(3aR,6aR)-3a,6a-dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione
CID 2802599
9,9-dimethyl-1,4,7-triazecane-8,10-dione
CID 66730110
1,2,3,4-tetramethylbicyclo[2.1.1]hex-2-ene
CID 123953331
2,2-dimethylspiro[2.4]heptan-1-one
CID 130031044
3,3,5,5-tetramethylthian-4-one
CID 12590192
aziridin-2-one
CID 158991665

Frequently Asked Questions

What is the IUPAC name of 1,3,5,7-tetramethyltricyclo[5.1.0.03,5]octane-2,6-dione?
The IUPAC name of 1,3,5,7-tetramethyltricyclo[5.1.0.03,5]octane-2,6-dione (CID 535012) is 1,3,5,7-tetramethyltricyclo[5.1.0.03,5]octane-2,6-dione.
What is the SMILES notation for 1,3,5,7-tetramethyltricyclo[5.1.0.03,5]octane-2,6-dione?
The canonical SMILES for 1,3,5,7-tetramethyltricyclo[5.1.0.03,5]octane-2,6-dione is CC12CC1(C)C(=O)C1(C)CC1(C)C2=O.
What is the InChIKey of 1,3,5,7-tetramethyltricyclo[5.1.0.03,5]octane-2,6-dione?
The InChIKey is BQPCLLPLCLJTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9-5-10(9,2)8(14)12(4)6-11(12,3)7(9)13/h5-6H2,1-4H3.
What are the key properties of 1,3,5,7-tetramethyltricyclo[5.1.0.03,5]octane-2,6-dione?
1,3,5,7-tetramethyltricyclo[5.1.0.03,5]octane-2,6-dione has a molecular weight of 192.26 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7-tetramethyltricyclo[5.1.0.03,5]octane-2,6-dione is sourced from PubChem (CID 535012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).