Chemical ID: 6684729

C1CCCCCOC(=O)CCCC1
Chemical ID:
6684729
Name [?]:
1-oxacyclododecan-2-one
SMILES [?]:
C1CCCCCOC(=O)CCCC1
InChi [?]:
InChI=1/C11H20O2/c12-11-9-7-5-3-1-2-4-6-8-10-13-11/h1-10H2
InChi Info:
AuxInfo=1/0/N:1,2,13,3,12,4,11,5,10,6,8,9,7/rA:13nCCCCCCOCOCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s1s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H20O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.0704
Area:339.412
Solvation:-1.41489
Coulombic:-19.6604
Bond Count [?]
All:13
Single:12
Double:1
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:184.275
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.78
LogP (Chemaxon):2.78

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