Chemical ID: 4912957

CC(C1C2C(C(O1)O)OC(O2)(C)C)O
Chemical ID:
4912957
Name [?]:
8-(1-hydroxyethyl)-3,3-dimethyl-2,4,7-trioxabicyclo[3.3.0]octan-6-ol
SMILES [?]:
CC(C1C2C(C(O1)O)OC(O2)(C)C)O
InChi [?]:
InChI=1/C9H16O5/c1-4(10)5-6-7(8(11)12-5)14-9(2,3)13-6/h4-8,10-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,13,2,3,4,5,6,10,14,8,7,11,9/E:(2,3)/rA:14cCCCCCCOOOCOCCO/rB:s1;s2;s3;s4;s5;s3s6;s6;s5;s9;s4s10;s10;s10;s2;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H16O5
All Atoms:14
Heavy Atoms:14
Chiral Atoms:5
ZAP Information [?]
Total:3.2233
Area:354.704
Solvation:-5.64431
Coulombic:-59.2822
Bond Count [?]
All:15
Single:15
Double:0
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:204.22
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:-0.44
LogP (Chemaxon):0.41

Name Annotations

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Descriptor Annotations

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