Chemical ID: 6691172

CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)[O-]
Chemical ID:
6691172
Name [?]:
7-ethyl-2-methyl-4-sulfonatooxy-undecane
SMILES [?]:
CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)[O-]
InChi [?]:
InChI=1/C14H30O4S/c1-5-7-8-13(6-2)9-10-14(11-12(3)4)18-19(15,16)17/h12-14H,5-11H2,1-4H3,(H,15,16,17)/p-1
InChi Info:
AuxInfo=1/1/N:1,7,13,14,2,6,3,4,8,9,11,12,5,10,17,18,19,15,16/E:(3,4)(15,16,17)/CRV:19.6/rA:19cCCCCCCCCCCCCCCOSOOO-/rB:s1;s2;s3;s4;s5;s6;s5;s8;s9;s10;s11;s12;s12;s10;s15;d16;d16;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H29O4S-
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:-26.0417
Area:520.627
Solvation:-39.0573
Coulombic:10.2667
Bond Count [?]
All:18
Single:16
Double:2
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:293.444
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.22
LogP (Chemaxon):4.45

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