tricyclo[5.4.0.02,9]undecane-3,8-dione

C11H14O2 — CID 130029184

IUPACtricyclo[5.4.0.02,9]undecane-3,8-dione
SMILESO=C1C2CCCC(=O)C3C1CCC23
InChIInChI=1S/C11H14O2/c12-9-3-1-2-7-6-4-5-8(10(6)9)11(7)13/h6-8,10H,1-5H2
InChIKeyYXJSECGCDAKVMG-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.58
Rot. Bonds

About tricyclo[5.4.0.02,9]undecane-3,8-dione

tricyclo[5.4.0.02,9]undecane-3,8-dione (PubChem CID 130029184) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is tricyclo[5.4.0.02,9]undecane-3,8-dione.

Molecular Properties

Compound Nametricyclo[5.4.0.02,9]undecane-3,8-dione
PubChem CID130029184
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Nametricyclo[5.4.0.02,9]undecane-3,8-dione
SMILESO=C1C2CCCC(=O)C3C1CCC23
InChIInChI=1S/C11H14O2/c12-9-3-1-2-7-6-4-5-8(10(6)9)11(7)13/h6-8,10H,1-5H2
InChIKeyYXJSECGCDAKVMG-UHFFFAOYSA-N
XLogP1.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4aS,4bS,8aR,8bR)-2,3,4,4a,4b,5,6,7,8a,8b-decahydrobiphenylene-1,8-dione
CID 100937087
(4aR,4bR,8aS,8bS)-2,3,4,4a,4b,5,6,7,8a,8b-decahydrobiphenylene-1,8-dione
CID 98159453
(4aR,4bR,8aR,10aR)-2,3,4,4a,4b,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-1,8-dione
CID 102156481
3,4,4a,4b,5,6,7,8,8a,8b-decahydro-2H-biphenylen-1-one
CID 130029702
2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]inden-4-one
CID 154595410
9-iodo-3,4,4a,6,7,8,9,9a-octahydro-2H-benzo[7]annulene-1,5-dione
CID 10924773
tricyclo[5.3.1.12,6]dodecane-11,12-dione
CID 605937
tetracyclo[6.2.1.02,4.05,7]undecan-11-one
CID 130036613
(1R,2R,9S,10S)-tricyclo[8.6.0.02,9]hexadecane-3,16-dione
CID 102059008
(3aS,7aR)-1-methyl-1,2,3,3a,5,6,7,7a-octahydroinden-4-one
CID 10534861
(1R,2S,7R,8S)-tricyclo[6.2.2.02,7]dodec-9-en-3-one
CID 11217553
(2S)-2-[(1S,2R)-2-hydroxycyclohexyl]cyclohexan-1-one
CID 11830360

Frequently Asked Questions

What is the IUPAC name of tricyclo[5.4.0.02,9]undecane-3,8-dione?
The IUPAC name of tricyclo[5.4.0.02,9]undecane-3,8-dione (CID 130029184) is tricyclo[5.4.0.02,9]undecane-3,8-dione.
What is the SMILES notation for tricyclo[5.4.0.02,9]undecane-3,8-dione?
The canonical SMILES for tricyclo[5.4.0.02,9]undecane-3,8-dione is O=C1C2CCCC(=O)C3C1CCC23.
What is the InChIKey of tricyclo[5.4.0.02,9]undecane-3,8-dione?
The InChIKey is YXJSECGCDAKVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c12-9-3-1-2-7-6-4-5-8(10(6)9)11(7)13/h6-8,10H,1-5H2.
What are the key properties of tricyclo[5.4.0.02,9]undecane-3,8-dione?
tricyclo[5.4.0.02,9]undecane-3,8-dione has a molecular weight of 178.23 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[5.4.0.02,9]undecane-3,8-dione is sourced from PubChem (CID 130029184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).