1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate

2.1.2 InChI

InChI=1S/C11H19ClO2/c1-7(2)9-5-4-8(3)6-10(9)14-11(12)13/h7-10H,4-6H2,1-3H3/t8-,9+,10-/m1/s1

2.1.3 InChI Key

KIUPCUCGVCGPPA-KXUCPTDWSA-N

2.1.4 Canonical SMILES

CC1CCC(C(C1)OC(=O)Cl)C(C)C

2.1.5 Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)Cl)C(C)C

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Menthyl Chloroformate

2. S(-)-menthyl Chloroformate

2.2.2 Depositor-Supplied Synonyms

1. 14602-86-9

2. (-)-menthyl Chloroformate

3. (1r)-(-)-menthyl Chloroformate

4. Carbonochloridic Acid, (1r,2s,5r)-5-methyl-2-(1-methylethyl)cyclohexyl Ester

5. 51259-57-5

6. (1r,2s,5r)-2-isopropyl-5-methylcyclohexyl-carbonochloridate

7. (1r,2s,5r)-5-methyl-2-(propan-2-yl)cyclohexyl Chloroformate

8. Rel-(1r,2s,5r)-2-isopropyl-5-methylcyclohexyl Carbonochloridate

9. [(1r,2s,5r)-5-methyl-2-propan-2-ylcyclohexyl] Carbonochloridate

10. Mfcd00009694

11. Schembl590742

12. (-)-chloroformyloxy-p-menthane

13. Kiupcucgvcgppa-kxucptdwsa-n

14. Akos016843652

15. As-80318

16. M0990

17. D91420

18. En300-111714

19. J-008182

20. (1r)-(-)-menthyl Chloroformate, Optical Purity Ee: 99% (glc)

2.3 Create Date

2006-07-29

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₉ClO₂
Molecular Weight	218.72 g/mol
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	26.3
Heavy Atom Count	14
Formal Charge	0
Complexity	204
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

14602-86-9

14602-86-9

CHEMISTRY

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