Chemical ID: 5098911

CCC1CC(C1(C)C)CC(=O)OC
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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