ChemDB: Chemical Search
Download
Chemical ID: 4553896
Chemical ID:
4553896
Name [?]:
4-(2-hydroxyethyl)-2,2-dimethyl-tetrahydropyran-4-ol
SMILES [?]:
CC1(CC(CCO1)(CCO)O)C
InChi [?]:
InChI=1/C9H18O3/c1-8(2)7-9(11,3-5-10)4-6-12-8/h10-11H,3-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,8,5,9,6,3,2,4,10,11,7/E:(1,2)/rA:12cCCCCCCOCCOOC/rB:s1;s2;s3;s4;s5;s2s6;s4;s8;s9;s4;s2;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H18O3 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.46002 |
Area: | 329.589 |
Solvation: | -3.7797 |
Coulombic: | -40.692 |
Bond Count [?]
All: | 12 |
Single: | 12 |
Double: | 0 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 174.237 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.8 |
LogP (Chemaxon): | -0.6 |
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 |
---|