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Chemical ID: 4584984
Chemical ID:
4584984
Name [?]:
1,3,5,5-tetramethylhexyl acetate
SMILES [?]:
CC(CC(C)OC(=O)C)CC(C)(C)C
InChi [?]:
InChI=1/C12H24O2/c1-9(8-12(4,5)6)7-10(2)14-11(3)13/h9-10H,7-8H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,5,9,12,13,14,3,10,2,4,7,11,8,6/E:(4,5,6)/rA:14cCCCCCOCOCCCCCC/rB:s1;s2;s3;s4;s4;s6;d7;s7;s2;s10;s11;s11;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H24O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.63713 |
Area: | 403.826 |
Solvation: | -1.45852 |
Coulombic: | -19.5719 |
Bond Count [?]
All: | 13 |
Single: | 12 |
Double: | 1 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 200.318 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.81 |
LogP (Chemaxon): | 3.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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