Cas no 56914-95-5 ((3Aalpha,4beta,5beta,7beta,7aalpha)-Octahydro-4,7-methano-1H-indene-5-methanol)
56914-95-5 structure
Product Name:(3Aalpha,4beta,5beta,7beta,7aalpha)-Octahydro-4,7-methano-1H-indene-5-methanol
CAS No:56914-95-5
MF:C11H18O
MW:166.260023593903
CID:372811
PubChem ID:21116840
Update Time:2024-02-29
(3Aalpha,4beta,5beta,7beta,7aalpha)-Octahydro-4,7-methano-1H-indene-5-methanol Chemical and Physical Properties
Names and Identifiers
-
- 4,7-Methano-1H-indene-5-methanol,octahydro-, (3aR,4R,5S,7R,7aR)-rel-
- (3aalpha,4beta,5beta,7beta,7aalpha)-octahydro-4,7-methano-1H-indene-5-methanol
- (3aS,4R,5R,7S,7aS)-octahydro-1H-4,7-methanoinden-5-ylmethanol
- 4,7-Methano-1H-indene-5-methanol, octahydro-, (3aR,4R,5S,7R,7aR)-rel-
- (3aa,4ss,5ss,7ss,7aa)-octahydro-4,7-methano-1H-indene-5-methanol
- 4,7-Methano-1H-indene-5-methanol, octahydro-, (3aalpha,4beta,5beta,7beta,7aalpha)-
- Q27293622
- (3aS,3abeta,7abeta)-Octahydro-4alpha,7alpha-methano-1H-in
- (3Aalpha,4beta,5beta,7beta,7aalpha)-Octahydro-4,7-methano-1H-indene-5-methanol
-
- Inchi： 1S/C11H18O/c12-6-8-4-7-5-11(8)10-3-1-2-9(7)10/h7-12H,1-6H2/t7-,8+,9+,10+,11-/m1/s1
- InChI Key： HSPRVWPULGKMRC-ORMBPQIASA-N
- SMILES： OC[C@@H]1C[C@@H]2C[C@H]1[C@H]1CCC[C@H]12
Computed Properties
- Exact Mass: 166.136
- Monoisotopic Mass: 166.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 189
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 20.2
- XLogP3: 2.7
Experimental Properties
- Density: 1.052
- Boiling Point: 271.8°Cat760mmHg
- Flash Point: 128.8°C
- Refractive Index: 1.525
(3Aalpha,4beta,5beta,7beta,7aalpha)-Octahydro-4,7-methano-1H-indene-5-methanol Related Literature
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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