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Chemical ID: 7616957
Chemical ID:
7616957
Name [?]:
None
SMILES [?]:
CC(C)COC(=O)CC(CC(=O)OCC(C)C)(C(=O)OCC(C)C)O
InChi [?]:
InChI=1/C18H32O7/c1-12(2)9-23-15(19)7-18(22,17(21)25-11-14(5)6)8-16(20)24-10-13(3)4/h12-14,22H,7-11H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,16,17,23,24,8,10,4,14,21,2,15,22,6,11,18,9,7,12,19,25,5,13,20/E:(1,2,3,4)(5,6)(7,8)(9,10)(12,13)(15,16)(19,20)(23,24)/rA:25nCCCCOCOCCCCOOCCCCCOOCCCCO/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;d11;s11;s13;s14;s15;s15;s9;d18;s18;s20;s21;s22;s22;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H32O7 |
All Atoms: | 57 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.7876 |
Area: | 621.344 |
Solvation: | -6.74599 |
Coulombic: | -69.7261 |
Bond Count [?]
All: | 24 |
Single: | 21 |
Double: | 3 |
Rotors: | 14 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.95 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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