Chemical ID: 6046318

CC1(OCC(O1)C2C3C(C(O2)O)OC(O3)(C)C)C
Chemical ID:
6046318
Name [?]:
8-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,3-dimethyl-2,4,7-trioxabicyclo[3.3.0]octan-6-ol
SMILES [?]:
CC1(OCC(O1)C2C3C(C(O2)O)OC(O3)(C)C)C
InChi [?]:
InChI=1/C12H20O6/c1-11(2)14-5-6(16-11)7-8-9(10(13)15-7)18-12(3,4)17-8/h6-10,13H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,18,16,17,4,5,7,8,9,10,2,14,12,3,11,6,15,13/E:(1,2)(3,4)/rA:18cCCOCCOCCCCOOOCOCCC/rB:s1;s2;s3;s4;s2s5;s5;s7;s8;s9;s7s10;s10;s9;s13;s8s14;s14;s14;s2;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H20O6
All Atoms:18
Heavy Atoms:18
Chiral Atoms:5
ZAP Information [?]
Total:4.8331
Area:425.457
Solvation:-5.80332
Coulombic:-59.9055
Bond Count [?]
All:20
Single:20
Double:0
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:260.284
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:0.27
LogP (Chemaxon):1.0

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Descriptor Annotations

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