ChemDB: Chemical Search
Download
Chemical ID: 5232971
Chemical ID:
5232971
Name [?]:
methyl 2-(1-cyclohex-2-enyl)prop-2-enoate
SMILES [?]:
COC(=O)C(=C)C1CCCC=C1
InChi [?]:
InChI=1/C10H14O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h4,6,9H,1,3,5,7H2,2H3
InChi Info:
AuxInfo=1/0/N:6,1,10,11,9,12,8,5,7,3,4,2/rA:12cCOCOCCCCCCCC/rB:s1;s2;d3;s3;d5;s5;s7;s8;s9;s10;s7d11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.83258 |
Area: | 331.097 |
Solvation: | -1.44485 |
Coulombic: | -21.9627 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 166.217 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.61 |
LogP (Chemaxon): | 2.05 |
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 |
---|