Chemical ID: 6658702

C1CCCC2C(O2)CC1
Chemical ID:
6658702
Name [?]:
9-oxabicyclo[6.1.0]nonane
SMILES [?]:
C1CCCC2C(O2)CC1
InChi [?]:
InChI=1/C8H14O/c1-2-4-6-8-7(9-8)5-3-1/h7-8H,1-6H2
InChi Info:
AuxInfo=1/0/N:1,2,9,3,8,4,6,5,7/E:(1,2)(3,4)(5,6)(7,8)/rA:9cCCCCCCOCC/rB:s1;s2;s3;s4;s5;s5s6;s6;s1s8;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H14O
All Atoms:9
Heavy Atoms:9
Chiral Atoms:2
ZAP Information [?]
Total:4.72092
Area:263.859
Solvation:-1.87555
Coulombic:-8.78616
Bond Count [?]
All:10
Single:10
Double:0
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:126.196
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.24
LogP (Chemaxon):1.89

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Experimental Annotations

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Descriptor Annotations

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