ChemDB: Chemical Search
Download
Chemical ID: 4955591
Chemical ID:
4955591
Name [?]:
2-isopropyl-1,3-dioxocane
SMILES [?]:
CC(C)C1OCCCCCO1
InChi [?]:
InChI=1/C9H18O2/c1-8(2)9-10-6-4-3-5-7-11-9/h8-9H,3-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,8,7,9,6,10,2,4,5,11/E:(1,2)(4,5)(6,7)(10,11)/rA:11nCCCCOCCCCCO/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s4s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H18O2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.23105 |
Area: | 312.47 |
Solvation: | -2.5807 |
Coulombic: | -17.3803 |
Bond Count [?]
All: | 11 |
Single: | 11 |
Double: | 0 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 158.238 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.95 |
LogP (Chemaxon): | 2.02 |
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 |
---|