Chemical ID: 4584984

CC(CC(C)OC(=O)C)CC(C)(C)C
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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Descriptor Annotations

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