Cas no 50526-52-8 (1H-Naphtho[2,3-c]pyran, dodecahydro-1,1-dimethyl-)
![1H-Naphtho[2,3-c]pyran, dodecahydro-1,1-dimethyl- structure](https://ossimg.kuujia.com/scimg/51000/50526-52-8x500.png)
50526-52-8 structure
Product Name:1H-Naphtho[2,3-c]pyran, dodecahydro-1,1-dimethyl-
CAS No:50526-52-8
MF:C15H26O
MW:222.366344928741
CID:385720
PubChem ID:170852
Update Time:2025-04-19
1H-Naphtho[2,3-c]pyran, dodecahydro-1,1-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Naphtho[2,3-c]pyran, dodecahydro-1,1-dimethyl-
- 1,1-dimethyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydrobenzo[g]isochromene
- dodecahydro-1,1-dimethyl-1H-naphtho[2,3-c]pyran
- 1,1-dimethyldodecahydro-1H-benzo[g]isochromene
- 1H-Naphtho(2,3-c)pyran, dodecahydro-1,1-dimethyl-
- Dodecahydro-1,1-dimethyl-1H-naphtho(2,3-c)pyran
- 50526-52-8
- EINECS 256-614-6
- DTXSID20885912
- NS00057547
- SCHEMBL11807887
-
- Inchi： 1S/C15H26O/c1-15(2)14-10-12-6-4-3-5-11(12)9-13(14)7-8-16-15/h11-14H,3-10H2,1-2H3
- InChI Key： LASFLQOBUGTTCJ-UHFFFAOYSA-N
- SMILES： O1CCC2CC3CCCCC3CC2C1(C)C
Computed Properties
- Exact Mass: 222.19848
- Monoisotopic Mass: 222.198
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 258
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 4.5
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- Density: 0.927
- Boiling Point: 277.2°C at 760 mmHg
- Flash Point: 103.4°C
- Refractive Index: 1.47
- PSA: 9.23
1H-Naphtho[2,3-c]pyran, dodecahydro-1,1-dimethyl- Related Literature
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
-
Kevin M. Koo,Abu Ali Ibn Sina,Laura G. Carrascosa,Muhammad J. A. Shiddiky Analyst, 2014,139, 6178-6184
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