Chemical ID: 4148531

CC1(C(CCC1(C)C(=O)O)C(=O)O)C
Chemical ID:
4148531
Name [?]:
1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid
SMILES [?]:
CC1(C(CCC1(C)C(=O)O)C(=O)O)C
InChi [?]:
InChI=1/C10H16O4/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,14,7,4,5,3,11,8,2,6,12,13,9,10/E:(1,2)(11,12)(13,14)/rA:14cCCCCCCCCOOCOOC/rB:s1;s2;s3;s4;s2s5;s6;s6;d8;s8;s3;d11;s11;s2;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H16O4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:2
ZAP Information [?]
Total:5.96522
Area:342.192
Solvation:-2.58958
Coulombic:-53.0478
Bond Count [?]
All:14
Single:12
Double:2
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:200.232
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.21
LogP (Chemaxon):2.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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