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Chemical ID: 6694011
Chemical ID:
6694011
Name [?]:
octacosan-1-ol
SMILES [?]:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCO
InChi [?]:
InChI=1/C28H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h29H,2-28H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29/rA:29nCCCCCCCCCCCCCCCCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H58O |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 20.267 |
Area: | 874.508 |
Solvation: | -1.59571 |
Coulombic: | -24.6617 |
Bond Count [?]
All: | 28 |
Single: | 28 |
Double: | 0 |
Rotors: | 26 |
Chiral: | 0 |
Rigid Segments: | 14 |
Chemical Properties
Molecular Weight: | 410.76 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 11.76 |
LogP (Chemaxon): | 10.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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