ChemDB: Chemical Search
Download
Chemical ID: 5153648
Chemical ID:
5153648
Name [?]:
methyl 4-(2-methyloxiran-2-yl)cyclohexene-1-carboxylate
SMILES [?]:
CC1(CO1)C2CCC(=CC2)C(=O)OC
InChi [?]:
InChI=1/C11H16O3/c1-11(7-14-11)9-5-3-8(4-6-9)10(12)13-2/h3,9H,4-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,9,7,10,6,3,8,5,11,2,12,13,4/rA:14cCCCOCCCCCCCOOC/rB:s1;s2;s2s3;s2;s5;s6;s7;d8;s5s9;s8;d11;s11;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.09437 |
Area: | 376.442 |
Solvation: | -3.31667 |
Coulombic: | -28.0077 |
Bond Count [?]
All: | 15 |
Single: | 13 |
Double: | 2 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 196.243 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.08 |
LogP (Chemaxon): | 1.04 |
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 |
---|