ChemDB: Chemical Search
Download
Chemical ID: 7115821
Chemical ID:
7115821
Name [?]:
2-[(2-hydroxycyclohexyl)methyl]cyclohexan-1-ol
SMILES [?]:
C1CCC(C(C1)CC2CCCCC2O)O
InChi [?]:
InChI=1/C13H24O2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h10-15H,1-9H2
InChi Info:
AuxInfo=1/0/N:1,10,2,11,6,9,3,12,7,5,8,4,13,15,14/E:(1,2)(3,4)(5,6)(7,8)(10,11)(12,13)(14,15)/rA:15cCCCCCCCCCCCCCOO/rB:s1;s2;s3;s4;s1s5;s5;s7;s8;s9;s10;s11;s8s12;s13;s4;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H24O2 |
All Atoms: | 39 |
Heavy Atoms: | 15 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 7.21892 |
Area: | 385.709 |
Solvation: | -2.42382 |
Coulombic: | -34.8304 |
Bond Count [?]
All: | 16 |
Single: | 16 |
Double: | 0 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 212.328 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.55 |
LogP (Chemaxon): | 2.54 |
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 |
---|