ChemDB: Chemical Search
Download
Chemical ID: 5173043
Chemical ID:
5173043
Name [?]:
(3-methylnorbornan-2-yl) acetate
SMILES [?]:
CC1C2CCC(C2)C1OC(=O)C
InChi [?]:
InChI=1/C10H16O2/c1-6-8-3-4-9(5-8)10(6)12-7(2)11/h6,8-10H,3-5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,4,5,7,2,10,3,6,8,11,9/rA:12cCCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s3s6;s2s6;s8;s9;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H16O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 6.7075 |
Area: | 322.396 |
Solvation: | -1.3524 |
Coulombic: | -18.6117 |
Bond Count [?]
All: | 13 |
Single: | 12 |
Double: | 1 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 168.233 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.26 |
LogP (Chemaxon): | 1.68 |
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 |
---|