Chemical ID: 5578839

CC(C)(C(CCC(=O)O)c1cccc(c1)OC)C(=O)O
Chemical ID:
5578839
Name [?]:
4-(3-methoxyphenyl)-5,5-dimethyl-hexanedioic acid
SMILES [?]:
CC(C)(C(CCC(=O)O)c1cccc(c1)OC)C(=O)O
InChi [?]:
InChI=1/C15H20O5/c1-15(2,14(18)19)12(7-8-13(16)17)10-5-4-6-11(9-10)20-3/h4-6,9,12H,7-8H2,1-3H3,(H,16,17)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,17,12,11,13,5,6,15,10,14,4,7,18,2,8,9,19,20,16/E:(1,2)(16,17)(18,19)/rA:20cCCCCCCCOOCCCCCCOCCOO/rB:s1;s2;s2;s4;s5;s6;d7;s7;s4;s10;d11;s12;d13;d10s14;s14;s16;s2;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20O5
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:7.20605
Area:467.497
Solvation:-4.48138
Coulombic:-60.082
Bond Count [?]
All:20
Single:15
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:280.316
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.8
LogP (Chemaxon):2.94

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