Chemical ID: 6663199

CC(C)OC(=O)CCCCC(=O)OC(C)C
Chemical ID:
6663199
Name [?]:
diisopropyl hexanedioate
SMILES [?]:
CC(C)OC(=O)CCCCC(=O)OC(C)C
InChi [?]:
InChI=1/C12H22O4/c1-9(2)15-11(13)7-5-6-8-12(14)16-10(3)4/h9-10H,5-8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,15,16,8,9,7,10,2,14,5,11,6,12,4,13/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:16nCCCOCOCCCCCOOCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s10;d11;s11;s13;s14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H22O4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.02366
Area:468.456
Solvation:-2.68773
Coulombic:-36.2995
Bond Count [?]
All:15
Single:13
Double:2
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:230.301
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.41
LogP (Chemaxon):1.99

Name Annotations

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Descriptor Annotations

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