Chemical ID: 5181467

CC1(CCCCC1CC(=O)O)CC(=O)O
Chemical ID:
5181467
Name [?]:
2-[2-(carboxymethyl)-2-methyl-cyclohexyl]acetic acid
SMILES [?]:
CC1(CCCCC1CC(=O)O)CC(=O)O
InChi [?]:
InChI=1/C11H18O4/c1-11(7-10(14)15)5-3-2-4-8(11)6-9(12)13/h8H,2-7H2,1H3,(H,12,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,5,4,6,3,8,12,7,9,13,2,10,11,14,15/E:(12,13)(14,15)/rA:15cCCCCCCCCCOOCCOO/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;d9;s9;s2;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H18O4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:2
ZAP Information [?]
Total:6.58061
Area:375.313
Solvation:-2.80221
Coulombic:-51.9745
Bond Count [?]
All:15
Single:13
Double:2
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:214.258
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.43
LogP (Chemaxon):1.8

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Descriptor Annotations

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