Chemical ID: 4587767

CC1(CC12CC2(C)C(=O)O)C3CC3
Chemical ID:
4587767
Name [?]:
2-cyclopropyl-2,4-dimethyl-spiro[2.2]pentane-4-carboxylic acid
SMILES [?]:
CC1(CC12CC2(C)C(=O)O)C3CC3
InChi [?]:
InChI=1/C11H16O2/c1-9(7-3-4-7)5-11(9)6-10(11,2)8(12)13/h7H,3-6H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,7,12,13,3,5,11,8,2,6,4,9,10/E:(3,4)(12,13)/rA:13cCCCCCCCCOOCCC/rB:s1;s2;s2s3;s4;s4s5;s6;s6;d8;s8;s2;s11;s11s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:3
ZAP Information [?]
Total:7.58606
Area:356.137
Solvation:-1.31737
Coulombic:-27.727
Bond Count [?]
All:15
Single:14
Double:1
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:180.244
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.95
LogP (Chemaxon):2.43

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