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Chemical ID: 4587767
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
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Experimental Annotations
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Descriptor Annotations
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