(1R,3R,6R,8R)-3-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undecan-2-one

C13H20O2 — CID 134857045

IUPAC(1R,3R,6R,8R)-3-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undecan-2-one
SMILESC[C@@H]1CC[C@]2(O)C(=O)[C@@H]3CC[C@]2(C)C1C3
InChIInChI=1S/C13H20O2/c1-8-3-6-13(15)11(14)9-4-5-12(13,2)10(8)7-9/h8-10,15H,3-7H2,1-2H3/t8-,9-,10?,12-,13+/m1/s1
InChIKeyNSPVVMQIRAWTTD-LSYZWSKBSA-N
MW208.30 g/mol
LogP2.15
Rot. Bonds

About (1R,3R,6R,8R)-3-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undecan-2-one

(1R,3R,6R,8R)-3-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undecan-2-one (PubChem CID 134857045) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (1R,3R,6R,8R)-3-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undecan-2-one.

Molecular Properties

Compound Name(1R,3R,6R,8R)-3-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undecan-2-one
PubChem CID134857045
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(1R,3R,6R,8R)-3-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undecan-2-one
SMILESC[C@@H]1CC[C@]2(O)C(=O)[C@@H]3CC[C@]2(C)C1C3
InChIInChI=1S/C13H20O2/c1-8-3-6-13(15)11(14)9-4-5-12(13,2)10(8)7-9/h8-10,15H,3-7H2,1-2H3/t8-,9-,10?,12-,13+/m1/s1
InChIKeyNSPVVMQIRAWTTD-LSYZWSKBSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,3R,6R,8R)-3-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undecan-2-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,3R,7S,8S)-3-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undec-5-en-2-one
CID 177495831
2,3,6,8-tetramethyltricyclo[5.3.1.03,8]undecane
CID 155607777
(1R,2R,3S,6S,7S,8S)-2-(hydroxymethyl)-2,6,8-trimethyltricyclo[5.3.1.03,8]undecan-3-ol
CID 122211308
2,5-dimethyltetracyclo[4.3.0.01,8.02,9]nonane
CID 123838216
(1S,4R,5S,9R)-4-methyl-7-methylidenetricyclo[7.2.1.01,5]dodecan-12-one
CID 102595375
(1R,4R,5S,9S)-4-methyl-7-methylidenetricyclo[7.2.1.01,5]dodecan-12-one
CID 102595376
(1R,4R)-1,7,7-trimethyl-3-[(1R,2S,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-carbonyl]bicyclo[2.2.1]heptan-2-one
CID 10936436
3-methyl-2-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-one
CID 101328351
(1R,2S,5S,6R,9R,11R,13S,14S,17R)-2,6,17-trimethyl-14-propan-2-ylpentacyclo[9.7.0.02,9.05,9.013,17]octadecan-10-one
CID 95565368
(1R,2S,5S,6R,13R,14S,17R)-2,6-dimethyl-14-propan-2-ylpentacyclo[9.7.0.02,9.05,9.013,17]octadecan-10-one
CID 117069869
1,4,7-trimethylbicyclo[3.2.1]oct-6-en-8-one
CID 121221889
(4aR,7R,7aS)-4a-hydroxy-1,1,7-trimethyl-1a,2,3,5,6,7,7a,7b-octahydrocyclopropa[e]azulen-4-one
CID 45033549

Frequently Asked Questions

What is the IUPAC name of (1R,3R,6R,8R)-3-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undecan-2-one?
The IUPAC name of (1R,3R,6R,8R)-3-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undecan-2-one (CID 134857045) is (1R,3R,6R,8R)-3-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undecan-2-one.
What is the SMILES notation for (1R,3R,6R,8R)-3-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undecan-2-one?
The canonical SMILES for (1R,3R,6R,8R)-3-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undecan-2-one is C[C@@H]1CC[C@]2(O)C(=O)[C@@H]3CC[C@]2(C)C1C3.
What is the InChIKey of (1R,3R,6R,8R)-3-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undecan-2-one?
The InChIKey is NSPVVMQIRAWTTD-LSYZWSKBSA-N. The full InChI is InChI=1S/C13H20O2/c1-8-3-6-13(15)11(14)9-4-5-12(13,2)10(8)7-9/h8-10,15H,3-7H2,1-2H3/t8-,9-,10?,12-,13+/m1/s1.
What are the key properties of (1R,3R,6R,8R)-3-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undecan-2-one?
(1R,3R,6R,8R)-3-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undecan-2-one has a molecular weight of 208.30 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,6R,8R)-3-hydroxy-6,8-dimethyltricyclo[5.3.1.03,8]undecan-2-one is sourced from PubChem (CID 134857045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).