CAS 4747-61-9

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Also known as: 4747-61-9, Dihydronopol, Hydronopol, Dihydrohomomyrtenol, 2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethanol, Nopol (terpene), dihydro-

Molecular Formula

C₁₁H₂₀O

Molecular Weight

168.28 g/mol

InChI Key

RCRVMCSPZAMFKV-UHFFFAOYSA-N

1 2D Structure

CAS 4747-61-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethanol

2.1.2 InChI

InChI=1S/C11H20O/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h8-10,12H,3-7H2,1-2H3

2.1.3 InChI Key

RCRVMCSPZAMFKV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1(C2CCC(C1C2)CCO)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 4747-61-9

2. Dihydronopol

3. Hydronopol

4. Dihydrohomomyrtenol

5. 2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethanol

6. Nopol (terpene), Dihydro-

7. 2-(6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethan-1-ol

8. 2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethanol

9. 6,6-dimethylbicyclo(3.1.1)heptane-2-ethanol

10. Bicyclo(3.1.1)heptane-2-ethanol, 6,6-dimethyl-

11. Nsc 1285

12. 2-norpinaneethanol, 6,6-dimethyl-

13. 6,6-dimethylbicyclo[3.1.1]heptane-2-ethanol

14. 2-(6,6-dimethylbicyclo(3.1.1)hept-2-yl)ethanol

15. Nsc-1285

16. Nsc1285

17. Einecs 225-267-2

18. Ai3-14381

19. Schembl5517946

20. 2-norpinaneethanol,6-dimethyl-

21. Dtxsid70863447

22. Bga82519

23. Bicyclo[3.1.1]heptane-2-ethanol,6-dimethyl-

24. 2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethanol #

25. 2-(6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethanol

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₂₀O
Molecular Weight	168.28 g/mol
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	168.151415257 g/mol
Monoisotopic Mass	168.151415257 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	174
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1