(1R,6R)-tricyclo[4.4.1.01,6]undecane-2,7-dione

C11H14O2 — CID 130765311

IUPAC(1R,6R)-tricyclo[4.4.1.01,6]undecane-2,7-dione
SMILESO=C1CCC[C@@]23C[C@@]12CCCC3=O
InChIInChI=1S/C11H14O2/c12-8-3-1-5-10-7-11(8,10)6-2-4-9(10)13/h1-7H2/t10-,11-/m0/s1
InChIKeyAIFNJWWTOYBWRP-QWRGUYRKSA-N
MW178.23 g/mol
LogP1.87
Rot. Bonds

About (1R,6R)-tricyclo[4.4.1.01,6]undecane-2,7-dione

(1R,6R)-tricyclo[4.4.1.01,6]undecane-2,7-dione (PubChem CID 130765311) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (1R,6R)-tricyclo[4.4.1.01,6]undecane-2,7-dione.

Molecular Properties

Compound Name(1R,6R)-tricyclo[4.4.1.01,6]undecane-2,7-dione
PubChem CID130765311
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(1R,6R)-tricyclo[4.4.1.01,6]undecane-2,7-dione
SMILESO=C1CCC[C@@]23C[C@@]12CCCC3=O
InChIInChI=1S/C11H14O2/c12-8-3-1-5-10-7-11(8,10)6-2-4-9(10)13/h1-7H2/t10-,11-/m0/s1
InChIKeyAIFNJWWTOYBWRP-QWRGUYRKSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,6R)-tricyclo[4.4.1.01,6]undecane-2,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dispiro[2.0.34.43]undecan-11-one
CID 121217052
(1S,6R)-tricyclo[4.3.1.01,6]decan-7-one
CID 13167045
(1R,7S)-tricyclo[5.3.1.01,7]undecan-8-one
CID 13167047
10-ethenyl-10-hydroxyspiro[4.5]decan-6-one
CID 155931172
(2R)-2-hydroxy-2-methylcyclopentan-1-one
CID 13397596
2,2,3,3-tetrachlorocyclohexan-1-one
CID 54555394
10-methylidenetricyclo[4.3.2.01,6]undecan-7-one
CID 130030751
(5R)-9-methylidenespiro[4.4]nonan-4-one
CID 101143196
spiro[5.6]dodecane-5,12-dione
CID 534624
spiro[13.14]octacosan-28-one
CID 12738452
(6R,9S)-9-(2-hydroxypropan-2-yl)tricyclo[4.4.1.01,6]undecan-2-one
CID 11969863
(5S)-1-oxaspiro[4.4]nonan-9-one
CID 10606823

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-tricyclo[4.4.1.01,6]undecane-2,7-dione?
The IUPAC name of (1R,6R)-tricyclo[4.4.1.01,6]undecane-2,7-dione (CID 130765311) is (1R,6R)-tricyclo[4.4.1.01,6]undecane-2,7-dione.
What is the SMILES notation for (1R,6R)-tricyclo[4.4.1.01,6]undecane-2,7-dione?
The canonical SMILES for (1R,6R)-tricyclo[4.4.1.01,6]undecane-2,7-dione is O=C1CCC[C@@]23C[C@@]12CCCC3=O.
What is the InChIKey of (1R,6R)-tricyclo[4.4.1.01,6]undecane-2,7-dione?
The InChIKey is AIFNJWWTOYBWRP-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H14O2/c12-8-3-1-5-10-7-11(8,10)6-2-4-9(10)13/h1-7H2/t10-,11-/m0/s1.
What are the key properties of (1R,6R)-tricyclo[4.4.1.01,6]undecane-2,7-dione?
(1R,6R)-tricyclo[4.4.1.01,6]undecane-2,7-dione has a molecular weight of 178.23 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-tricyclo[4.4.1.01,6]undecane-2,7-dione is sourced from PubChem (CID 130765311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).