Chemical ID: 4960106

CC1CC(CCC1C(C)(C)C)OC(=O)C
Chemical ID:
4960106
Name [?]:
(3-methyl-4-tert-butyl-cyclohexyl) acetate
SMILES [?]:
CC1CC(CCC1C(C)(C)C)OC(=O)C
InChi [?]:
InChI=1/C13H24O2/c1-9-8-11(15-10(2)14)6-7-12(9)13(3,4)5/h9,11-12H,6-8H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,15,9,10,11,5,6,3,2,13,4,7,8,14,12/E:(3,4,5)/rA:15cCCCCCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s8;s8;s4;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H24O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:3
ZAP Information [?]
Total:8.39073
Area:392.666
Solvation:-1.42593
Coulombic:-19.7392
Bond Count [?]
All:15
Single:14
Double:1
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:212.328
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.77
LogP (Chemaxon):3.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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