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2D Structure
Also known as: 64190-52-9, (1r,3ar,4s,7ar)-1-[(1s)-2-hydroxy-1-methyl-ethyl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol, (1r,3ar,4s,7ar)-1-[(2s)-1-hydroxypropan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol, (1r,3ar,4s,7ar)-1-((s)-1-hydroxypropan-2-yl)-7a-methyloctahydro-1h-inden-4-ol, 1-(2-hydroxy-1-methyl-ethyl)-7a-methyl-octahydro-inden-4-ol, Schembl2678324
Molecular Formula
C13H24O2
Molecular Weight
212.33  g/mol
InChI Key
FUBPRYXDIHQLGH-NAWOPXAZSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1R,3aR,4S,7aR)-1-[(2S)-1-hydroxypropan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
2.1.2 InChI
InChI=1S/C13H24O2/c1-9(8-14)10-5-6-11-12(15)4-3-7-13(10,11)2/h9-12,14-15H,3-8H2,1-2H3/t9-,10-,11+,12+,13-/m1/s1
2.1.3 InChI Key
FUBPRYXDIHQLGH-NAWOPXAZSA-N
2.1.4 Canonical SMILES
CC(CO)C1CCC2C1(CCCC2O)C
2.1.5 Isomeric SMILES
C[C@H](CO)[C@H]1CC[C@@H]2[C@@]1(CCC[C@@H]2O)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 64190-52-9

2. (1r,3ar,4s,7ar)-1-[(1s)-2-hydroxy-1-methyl-ethyl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol

3. (1r,3ar,4s,7ar)-1-[(2s)-1-hydroxypropan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol

4. (1r,3ar,4s,7ar)-1-((s)-1-hydroxypropan-2-yl)-7a-methyloctahydro-1h-inden-4-ol

5. 1-(2-hydroxy-1-methyl-ethyl)-7a-methyl-octahydro-inden-4-ol

6. Schembl2678324

7. Chembl2063144

8. Fubpryxdihqlgh-nawopxazsa-n

9. Bcp10025

10. Cs-m0511

11. Mfcd00144484

12. Akos017343723

13. Ac-8893

14. Hy-75920

15. (1r,3ar,4s,7ar)-1-[(2s)-1-hydroxypropan-2-yl]-7a-methyl-octahydro-1h-inden-4-ol

16. (1r,3ar,4s,7ar)-octahydro-1-{(s)-1-hydroxypropane-2-yl}-7a-methyl-1h-indene-4-ol

17. 1r,3ar,4s,7ar)-1-((s)-1-hydroxypropan-2-yl)-7a-methyloctahydro-1h-inden-4-ol

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 212.33 g/mol
Molecular Formula C13H24O2
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area40.5
Heavy Atom Count15
Formal Charge0
Complexity229
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1