ChemDB: Chemical Search
Download
Chemical ID: 5239035
Chemical ID:
5239035
Name [?]:
1,3-dihydroxydec-8-en-5-one
SMILES [?]:
CC=CCCC(=O)CC(CCO)O
InChi [?]:
InChI=1/C10H18O3/c1-2-3-4-5-9(12)8-10(13)6-7-11/h2-3,10-11,13H,4-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,10,11,8,6,9,12,7,13/rA:13cCCCCCCOCCCCOO/rB:s1;w2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s9;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H18O3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.34628 |
Area: | 397.452 |
Solvation: | -4.59001 |
Coulombic: | -39.8025 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 186.248 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.54 |
LogP (Chemaxon): | 1.24 |
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 |
---|