Chemical ID: 6693841

CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)O
Chemical ID:
6693841
Name [?]:
7-ethyl-2-methyl-4-sulfooxy-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)
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:C14H30O4S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:11.1161
Area:513.696
Solvation:-1.72625
Coulombic:-22.9967
Bond Count [?]
All:18
Single:16
Double:2
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:294.452
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.22
LogP (Chemaxon):4.45

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