ChemDB: Chemical Search
Download
Chemical ID: 5619254
Chemical ID:
5619254
Name [?]:
2,3-bis(1,4-dioxaspiro[4.5]dec-2-yl)-1,4-dioxaspiro[4.5]decane
SMILES [?]:
C1CCC2(CC1)OCC(O2)C3C(OC4(O3)CCCCC4)C5COC6(O5)CCCCC6
InChi [?]:
InChI=1/C24H38O6/c1-4-10-22(11-5-1)25-16-18(27-22)20-21(30-24(29-20)14-8-3-9-15-24)19-17-26-23(28-19)12-6-2-7-13-23/h18-21H,1-17H2
InChi Info:
AuxInfo=1/0/N:1,28,18,2,6,27,29,17,19,3,5,26,30,16,20,8,22,9,21,11,12,4,24,14,7,23,10,25,15,13/E:(1,2)(4,5,6,7)(8,9)(10,11,12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(25,26)(27,28)(29,30)/rA:30cCCCCCCOCCOCCOCOCCCCCCCOCOCCCCC/rB:s1;s2;s3;s4;s1s5;s4;s7;s8;s4s9;s9;s11;s12;s13;s11s14;s14;s16;s17;s18;s14s19;s12;s21;s22;s23;s21s24;s24;s26;s27;s28;s24s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H38O6 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 9.98937 |
Area: | 599.258 |
Solvation: | -4.99207 |
Coulombic: | -54.6443 |
Bond Count [?]
All: | 35 |
Single: | 35 |
Double: | 0 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 422.555 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.47 |
LogP (Chemaxon): | 5.03 |
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 |
---|