Chemical ID: 6689952

CCC1CCC2C(C1)O2
Chemical ID:
6689952
Name [?]:
4-ethyl-7-oxabicyclo[4.1.0]heptane
SMILES [?]:
CCC1CCC2C(C1)O2
InChi [?]:
InChI=1/C8H14O/c1-2-6-3-4-7-8(5-6)9-7/h6-8H,2-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,4,5,8,3,6,7,9/rA:9cCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s3s7;s6s7;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H14O
All Atoms:9
Heavy Atoms:9
Chiral Atoms:3
ZAP Information [?]
Total:4.97063
Area:280.474
Solvation:-2.04122
Coulombic:-9.06229
Bond Count [?]
All:10
Single:10
Double:0
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:126.196
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.18
LogP (Chemaxon):1.82

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue