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Chemical ID: 7613088
Chemical ID:
7613088
Name [?]:
None
SMILES [?]:
CCC(=O)OC1CC2CCC13C2C=CC3
InChi [?]:
InChI=1/C13H18O2/c1-2-12(14)15-11-8-9-5-7-13(11)6-3-4-10(9)13/h3-4,9-11H,2,5-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,13,9,15,10,7,8,12,6,3,11,4,5/rA:15cCCCOOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s6s10;s8s11;s12;d13;s11s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18O2 |
All Atoms: | 33 |
Heavy Atoms: | 15 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 0.0 |
Area: | 0.0 |
Solvation: | 0.0 |
Coulombic: | 0.0 |
Bond Count [?]
All: | 17 |
Single: | 15 |
Double: | 2 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.83 |
LogP (Chemaxon): | None |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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