(1R,7S)-tricyclo[5.3.1.01,7]undecan-8-one

C11H16O — CID 13167047

IUPAC(1R,7S)-tricyclo[5.3.1.01,7]undecan-8-one
SMILESO=C1CC[C@@]23CCCCC[C@@]12C3
InChIInChI=1S/C11H16O/c12-9-4-7-10-5-2-1-3-6-11(9,10)8-10/h1-8H2/t10-,11-/m1/s1
InChIKeyWTMXXBBMNDLFNZ-GHMZBOCLSA-N
MW164.25 g/mol
LogP2.69
Rot. Bonds

About (1R,7S)-tricyclo[5.3.1.01,7]undecan-8-one

(1R,7S)-tricyclo[5.3.1.01,7]undecan-8-one (PubChem CID 13167047) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (1R,7S)-tricyclo[5.3.1.01,7]undecan-8-one.

Molecular Properties

Compound Name(1R,7S)-tricyclo[5.3.1.01,7]undecan-8-one
PubChem CID13167047
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(1R,7S)-tricyclo[5.3.1.01,7]undecan-8-one
SMILESO=C1CC[C@@]23CCCCC[C@@]12C3
InChIInChI=1S/C11H16O/c12-9-4-7-10-5-2-1-3-6-11(9,10)8-10/h1-8H2/t10-,11-/m1/s1
InChIKeyWTMXXBBMNDLFNZ-GHMZBOCLSA-N
XLogP2.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,7S)-tricyclo[5.3.1.01,7]undecan-8-one 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

(1S,6R)-tricyclo[4.3.1.01,6]decan-7-one
CID 13167045
(1R,6R)-tricyclo[4.4.1.01,6]undecane-2,7-dione
CID 130765311
dispiro[2.0.34.43]undecan-11-one
CID 121217052
10-methylidenetricyclo[4.3.2.01,6]undecan-7-one
CID 130030751
tricyclo[3.3.2.01,5]decan-9-one
CID 12564319
trispiro[3.0.0.46.25.24]tetradecan-11-one
CID 23727770
(5R)-trispiro[3.0.0.46.25.24]tetradecan-11-one
CID 23727846
13-oxadispiro[4.0.66.25]tetradecan-14-one
CID 10465651
(6R,9S)-9-(2-hydroxypropan-2-yl)tricyclo[4.4.1.01,6]undecan-2-one
CID 11969863
spiro[5.6]dodecane-5,12-dione
CID 534624
spiro[13.14]octacosan-28-one
CID 12738452
1,2-diazadispiro[2.1.55.33]tridecan-13-one
CID 118560894

Frequently Asked Questions

What is the IUPAC name of (1R,7S)-tricyclo[5.3.1.01,7]undecan-8-one?
The IUPAC name of (1R,7S)-tricyclo[5.3.1.01,7]undecan-8-one (CID 13167047) is (1R,7S)-tricyclo[5.3.1.01,7]undecan-8-one.
What is the SMILES notation for (1R,7S)-tricyclo[5.3.1.01,7]undecan-8-one?
The canonical SMILES for (1R,7S)-tricyclo[5.3.1.01,7]undecan-8-one is O=C1CC[C@@]23CCCCC[C@@]12C3.
What is the InChIKey of (1R,7S)-tricyclo[5.3.1.01,7]undecan-8-one?
The InChIKey is WTMXXBBMNDLFNZ-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H16O/c12-9-4-7-10-5-2-1-3-6-11(9,10)8-10/h1-8H2/t10-,11-/m1/s1.
What are the key properties of (1R,7S)-tricyclo[5.3.1.01,7]undecan-8-one?
(1R,7S)-tricyclo[5.3.1.01,7]undecan-8-one has a molecular weight of 164.25 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7S)-tricyclo[5.3.1.01,7]undecan-8-one is sourced from PubChem (CID 13167047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).