CAS 38284-47-8

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]morpholine

2.1.2 InChI

InChI=1S/C17H31NO2/c1-17(2)15-4-3-14(16(17)13-15)5-9-19-10-6-18-7-11-20-12-8-18/h14-16H,3-13H2,1-2H3

2.1.3 InChI Key

FPLHEALBGYMFJM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1(C2CCC(C1C2)CCOCCN3CCOCC3)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 38284-47-8

2. 4-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]morpholine

3. (1s,2s,5s)-4-[2-[2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethoxy]ethyl]morpholine

4. 4-[2-(2-{6,6-dimethylbicyclo[3.1.1]heptan-2-yl}ethoxy)ethyl]morpholine

5. 4-[2-[2-(6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethoxy]ethyl]morpholine

6. Dtxsid301158273

7. Ss-5173

8. 4-[2-[2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethoxy]ethyl]morpholine

2.3 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₃₁NO₂
Molecular Weight	281.4 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	281.235479232 g/mol
Monoisotopic Mass	281.235479232 g/mol
Topological Polar Surface Area	21.7 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	312
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

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