Chemical ID: 6529608

C(CCCCCCO)CCCCCO
Chemical ID:
6529608
Name [?]:
dodecane-1,12-diol
SMILES [?]:
C(CCCCCCO)CCCCCO
InChi [?]:
InChI=1/C12H26O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h13-14H,1-12H2
InChi Info:
AuxInfo=1/0/N:1,2,9,3,10,4,11,5,12,6,13,7,14,8/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:14nCCCCCCCOCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s1;s9;s10;s11;s12;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H26O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:8.71004
Area:464.953
Solvation:-2.91379
Coulombic:-35.525
Bond Count [?]
All:13
Single:13
Double:0
Rotors:11
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:202.334
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:3.64
LogP (Chemaxon):2.97

Name Annotations

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Descriptor Annotations

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