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Chemical ID: 6687534
Chemical ID:
6687534
Name [?]:
2-octyldodecan-1-ol
SMILES [?]:
CCCCCCCCCCC(CCCCCCCC)CO
InChi [?]:
InChI=1/C20H42O/c1-3-5-7-9-11-12-14-16-18-20(19-21)17-15-13-10-8-6-4-2/h20-21H,3-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,2,18,3,17,4,16,5,15,6,7,14,8,13,9,12,10,20,11,21/rA:21cCCCCCCCCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s11;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H42O |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 14.5919 |
Area: | 642.05 |
Solvation: | -1.45937 |
Coulombic: | -22.2977 |
Bond Count [?]
All: | 20 |
Single: | 20 |
Double: | 0 |
Rotors: | 17 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 298.547 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 7.99 |
LogP (Chemaxon): | 7.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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