Chemical ID: 4912958

CC(C1C2C(C(O1)OC)OC(O2)(C)C)O
Chemical ID:
4912958
Name [?]:
1-(6-methoxy-3,3-dimethyl-2,4,7-trioxabicyclo[3.3.0]oct-8-yl)ethanol
SMILES [?]:
CC(C1C2C(C(O1)OC)OC(O2)(C)C)O
InChi [?]:
InChI=1/C10H18O5/c1-5(11)6-7-8(9(12-4)13-6)15-10(2,3)14-7/h5-9,11H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,13,14,9,2,3,4,5,6,11,15,8,7,12,10/E:(2,3)/rA:15cCCCCCCOOCOCOCCO/rB:s1;s2;s3;s4;s5;s3s6;s6;s8;s5;s10;s4s11;s11;s11;s2;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H18O5
All Atoms:15
Heavy Atoms:15
Chiral Atoms:5
ZAP Information [?]
Total:3.49891
Area:377.563
Solvation:-5.94018
Coulombic:-50.8262
Bond Count [?]
All:16
Single:16
Double:0
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:218.247
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.08
LogP (Chemaxon):0.68

Name Annotations

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Descriptor Annotations

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