ChemDB: Chemical Search
Download
Chemical ID: 6422399
Chemical ID:
6422399
Name [?]:
2-[5-(1-hydroxy-1-methyl-ethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-ol
SMILES [?]:
CC1(OC(C(O1)C(C)(C)O)C(C)(C)O)C
InChi [?]:
InChI=1/C11H22O4/c1-9(2,12)7-8(10(3,4)13)15-11(5,6)14-7/h7-8,12-13H,1-6H3
InChi Info:
AuxInfo=1/0/N:8,9,12,13,1,15,5,4,7,11,2,10,14,6,3/E:(1,2,3,4)(5,6)(7,8)(9,10)(12,13)(14,15)/rA:15cCCOCCOCCCOCCCOC/rB:s1;s2;s3;s4;s2s5;s5;s7;s7;s7;s4;s11;s11;s11;s2;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H22O4 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.40872 |
Area: | 357.123 |
Solvation: | -3.51935 |
Coulombic: | -49.5209 |
Bond Count [?]
All: | 15 |
Single: | 15 |
Double: | 0 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 218.29 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.04 |
LogP (Chemaxon): | 0.91 |
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 |
---|