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Chemical ID: 6656797
Chemical ID:
6656797
Name [?]:
dicyclohexyl-phenyl-methanol
SMILES [?]:
c1ccc(cc1)C(C2CCCCC2)(C3CCCCC3)O
InChi [?]:
InChI=1/C19H28O/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11,17-18,20H,2-3,6-9,12-15H2
InChi Info:
AuxInfo=1/0/N:1,11,17,2,6,10,12,16,18,3,5,9,13,15,19,4,8,14,7,20/E:(2,3)(4,5)(6,7,8,9)(10,11)(12,13,14,15)(17,18)/rA:20nCCCCCCCCCCCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s7;s14;s15;s16;s17;s14s18;s7;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H28O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.8123 |
Area: | 449.248 |
Solvation: | -1.4189 |
Coulombic: | -21.6352 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 272.425 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.89 |
LogP (Chemaxon): | 5.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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