Chemical ID: 6681849

C(CO)COCCCOCCCO
Chemical ID:
6681849
Name [?]:
3-[3-(3-hydroxypropoxy)propoxy]propan-1-ol
SMILES [?]:
C(CO)COCCCOCCCO
InChi [?]:
InChI=1/C9H20O4/c10-4-1-6-12-8-3-9-13-7-2-5-11/h10-11H,1-9H2
InChi Info:
AuxInfo=1/0/N:1,11,7,2,12,4,10,6,8,3,13,5,9/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:13nCCOCOCCCOCCCO/rB:s1;s2;s1;s4;s5;s6;s7;s8;s9;s10;s11;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H20O4
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:4.23674
Area:427.966
Solvation:-6.46242
Coulombic:-47.4081
Bond Count [?]
All:12
Single:12
Double:0
Rotors:10
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:192.253
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:-0.51
LogP (Chemaxon):-0.88

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Descriptor Annotations

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