Chemical ID: 6047947

C(CCCCCCCCCCO)CCCCCCCCCO
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

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Descriptor Annotations

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