(1S,5S,6S)-tricyclo[4.2.2.01,5]decan-8-one

C10H14O — CID 99726601

IUPAC(1S,5S,6S)-tricyclo[4.2.2.01,5]decan-8-one
SMILESO=C1C[C@@H]2CC[C@]13CCC[C@@H]23
InChIInChI=1S/C10H14O/c11-9-6-7-3-5-10(9)4-1-2-8(7)10/h7-8H,1-6H2/t7-,8-,10-/m0/s1
InChIKeyZYUNDPQOGAZCBE-NRPADANISA-N
MW150.22 g/mol
LogP2.16
Rot. Bonds

About (1S,5S,6S)-tricyclo[4.2.2.01,5]decan-8-one

(1S,5S,6S)-tricyclo[4.2.2.01,5]decan-8-one (PubChem CID 99726601) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (1S,5S,6S)-tricyclo[4.2.2.01,5]decan-8-one.

Molecular Properties

Compound Name(1S,5S,6S)-tricyclo[4.2.2.01,5]decan-8-one
PubChem CID99726601
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(1S,5S,6S)-tricyclo[4.2.2.01,5]decan-8-one
SMILESO=C1C[C@@H]2CC[C@]13CCC[C@@H]23
InChIInChI=1S/C10H14O/c11-9-6-7-3-5-10(9)4-1-2-8(7)10/h7-8H,1-6H2/t7-,8-,10-/m0/s1
InChIKeyZYUNDPQOGAZCBE-NRPADANISA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,5S,6S)-tricyclo[4.2.2.01,5]decan-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

(1R,5R,6R)-tricyclo[4.2.2.01,5]decan-8-one
CID 95858532
tricyclo[5.2.1.01,6]decan-9-one
CID 13093324
(1S,5R,6S,8R)-5-hydroxytricyclo[6.2.2.01,6]dodecan-10-one
CID 101488524
(1R,6S,7R,11S)-8-azatetracyclo[6.5.2.01,6.07,11]pentadecane-9,10,14-trione
CID 11687424
(1R,2S,7R,10R)-3,3,7-trimethyltricyclo[5.5.0.02,10]dodecan-8-one
CID 134922448
(1S,5R,9R)-7-methylidenetricyclo[7.2.1.01,5]dodecan-12-one
CID 102595372
8-methylspiro[3.4]octan-3-one
CID 557011
(1R,4S)-7-chloro-1-methylbicyclo[2.2.1]heptan-2-one
CID 131025350
methyl (6R)-8-oxotricyclo[4.3.0.02,9]nonane-9-carboxylate
CID 102192950
7-hydroxy-1-methylspiro[3.5]nonan-3-one
CID 163701413
(4S,5S)-4-hydroxyspiro[4.7]dodecan-12-one
CID 15438101
(1R,4R)-1,5-dimethylbicyclo[2.2.2]octan-2-one
CID 130834339

Frequently Asked Questions

What is the IUPAC name of (1S,5S,6S)-tricyclo[4.2.2.01,5]decan-8-one?
The IUPAC name of (1S,5S,6S)-tricyclo[4.2.2.01,5]decan-8-one (CID 99726601) is (1S,5S,6S)-tricyclo[4.2.2.01,5]decan-8-one.
What is the SMILES notation for (1S,5S,6S)-tricyclo[4.2.2.01,5]decan-8-one?
The canonical SMILES for (1S,5S,6S)-tricyclo[4.2.2.01,5]decan-8-one is O=C1C[C@@H]2CC[C@]13CCC[C@@H]23.
What is the InChIKey of (1S,5S,6S)-tricyclo[4.2.2.01,5]decan-8-one?
The InChIKey is ZYUNDPQOGAZCBE-NRPADANISA-N. The full InChI is InChI=1S/C10H14O/c11-9-6-7-3-5-10(9)4-1-2-8(7)10/h7-8H,1-6H2/t7-,8-,10-/m0/s1.
What are the key properties of (1S,5S,6S)-tricyclo[4.2.2.01,5]decan-8-one?
(1S,5S,6S)-tricyclo[4.2.2.01,5]decan-8-one has a molecular weight of 150.22 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,6S)-tricyclo[4.2.2.01,5]decan-8-one is sourced from PubChem (CID 99726601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).