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Chemical ID: 5098911
Chemical ID:
5098911
Name [?]:
methyl 2-(3-ethyl-2,2-dimethyl-cyclobutyl)acetate
SMILES [?]:
CCC1CC(C1(C)C)CC(=O)OC
InChi [?]:
InChI=1/C11H20O2/c1-5-8-6-9(11(8,2)3)7-10(12)13-4/h8-9H,5-7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,7,8,13,2,4,9,3,5,10,6,11,12/E:(2,3)/rA:13cCCCCCCCCCCOOC/rB:s1;s2;s3;s4;s3s5;s6;s6;s5;s9;d10;s10;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H20O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.85409 |
Area: | 374.921 |
Solvation: | -1.51893 |
Coulombic: | -19.4532 |
Bond Count [?]
All: | 13 |
Single: | 12 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 184.275 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.99 |
LogP (Chemaxon): | 2.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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