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Chemical ID: 6047947
Chemical ID:
6047947
Name [?]:
icosane-1,20-diol
SMILES [?]:
C(CCCCCCCCCCO)CCCCCCCCCO
InChi [?]:
InChI=1/C20H42O2/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22/h21-22H,1-20H2
InChi Info:
AuxInfo=1/0/N:1,2,13,3,14,4,15,5,16,6,17,7,18,8,19,9,20,10,21,11,22,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/rA:22nCCCCCCCCCCCOCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s1;s13;s14;s15;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H42O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.0695 |
Area: | 680.443 |
Solvation: | -2.94153 |
Coulombic: | -37.9582 |
Bond Count [?]
All: | 21 |
Single: | 21 |
Double: | 0 |
Rotors: | 19 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 314.546 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 6.71 |
LogP (Chemaxon): | 6.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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