ChemDB: Chemical Search
Download
Chemical ID: 4557491
Chemical ID:
4557491
Name [?]:
None
SMILES [?]:
CC1(CC2C1CCC3(C(O3)CCC2=C)C)C
InChi [?]:
InChI=1/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3
InChi Info:
AuxInfo=1/0/N:14,1,16,15,12,11,6,7,3,13,4,5,9,2,8,10/E:(2,3)/rA:16cCCCCCCCCCOCCCCCC/rB:s1;s2;s3;s2s4;s5;s6;s7;s8;s8s9;s9;s11;s4s12;d13;s8;s2;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 7.56551 |
Area: | 379.164 |
Solvation: | -1.91359 |
Coulombic: | -11.3956 |
Bond Count [?]
All: | 18 |
Single: | 17 |
Double: | 1 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 220.35 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.61 |
LogP (Chemaxon): | 3.22 |
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 |
---|