Chemical ID: 5226883

CC1(CCCC2(C1CCC34C2(O3)CC(CC4)O)C)COC
Chemical ID:
5226883
Name [?]:
None
SMILES [?]:
CC1(CCCC2(C1CCC34C2(O3)CC(CC4)O)C)COC
InChi [?]:
InChI=1/C18H30O3/c1-15(12-20-3)7-4-8-16(2)14(15)6-10-17-9-5-13(19)11-18(16,17)21-17/h13-14,19H,4-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,21,4,15,8,3,5,16,9,13,19,14,7,2,6,10,11,17,20,12/rA:21cCCCCCCCCCCCOCCCCOCCOC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s6s10;s10s11;s11;s13;s14;s10s15;s14;s6;s2;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H30O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:6
ZAP Information [?]
Total:7.10373
Area:456.363
Solvation:-4.30535
Coulombic:-34.6181
Bond Count [?]
All:24
Single:24
Double:0
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:294.429
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.94
LogP (Chemaxon):2.14

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