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Chemical ID: 4556497
Chemical ID:
4556497
Name [?]:
(1,7,7-trimethylnorbornan-2-yl) acetate
SMILES [?]:
CC(=O)OC1CC2CCC1(C2(C)C)C
InChi [?]:
InChI=1/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,12,13,14,8,9,6,2,7,5,11,10,3,4/E:(2,3)/rA:14cCCOOCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s5s9;s7s10;s11;s11;s10;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H20O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 7.73287 |
Area: | 364.257 |
Solvation: | -1.37354 |
Coulombic: | -19.2445 |
Bond Count [?]
All: | 15 |
Single: | 14 |
Double: | 1 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 196.286 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.47 |
LogP (Chemaxon): | 2.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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