ChemDB: Chemical Search
Download
Chemical ID: 4369745
Chemical ID:
4369745
Name [?]:
3-methoxycarbonyl-1,2,2-trimethyl-cyclopentane-1-carboxylate
SMILES [?]:
CC1(C(CCC1(C)C(=O)[O-])C(=O)OC)C
InChi [?]:
InChI=1/C11H18O4/c1-10(2)7(8(12)15-4)5-6-11(10,3)9(13)14/h7H,5-6H2,1-4H3,(H,13,14)/p-1
InChi Info:
AuxInfo=1/1/N:1,15,7,14,4,5,3,11,8,2,6,12,9,10,13/E:(1,2)(13,14)/rA:15cCCCCCCCCOO-COOCC/rB:s1;s2;s3;s4;s2s5;s6;s6;d8;s8;s3;d11;s11;s13;s2;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17O4- |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | -33.698 |
Area: | 366.068 |
Solvation: | -42.8497 |
Coulombic: | -16.7394 |
Bond Count [?]
All: | 15 |
Single: | 13 |
Double: | 2 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 213.25 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.05 |
LogP (Chemaxon): | 2.1 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|