Chemical ID: 5045957

CC(=O)OCC(COC(=O)C(C)(C)O)OC(=O)C
Chemical ID:
5045957
Name [?]:
2,3-diacetoxypropyl 2-hydroxy-2-methyl-propanoate
SMILES [?]:
CC(=O)OCC(COC(=O)C(C)(C)O)OC(=O)C
InChi [?]:
InChI=1/C11H18O7/c1-7(12)16-5-9(18-8(2)13)6-17-10(14)11(3,4)15/h9,15H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,18,12,13,5,7,2,16,6,9,11,3,17,10,14,4,8,15/E:(3,4)/rA:18cCCOOCCCOCOCCCOOCOC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s9;s11;s11;s11;s6;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H18O7
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:6.30837
Area:476.851
Solvation:-5.61291
Coulombic:-69.9943
Bond Count [?]
All:17
Single:14
Double:3
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:262.256
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:-0.06
LogP (Chemaxon):-0.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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