Chemical ID: 4950562

CCCCOC(C)COCC(C)OCC(C)O
Chemical ID:
4950562
Name [?]:
1-[2-(2-butoxypropoxy)-1-methyl-ethoxy]propan-2-ol
SMILES [?]:
CCCCOC(C)COCC(C)OCC(C)O
InChi [?]:
InChI=1/C13H28O4/c1-5-6-7-16-12(3)9-15-10-13(4)17-8-11(2)14/h11-14H,5-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,16,7,12,2,3,4,14,8,10,15,6,11,17,9,5,13/rA:17cCCCCOCCCOCCCOCCCO/rB:s1;s2;s3;s4;s5;s6;s6;s8;s9;s10;s11;s11;s13;s14;s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H28O4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:3
ZAP Information [?]
Total:4.44955
Area:504.489
Solvation:-8.16267
Coulombic:-38.4231
Bond Count [?]
All:16
Single:16
Double:0
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:248.359
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.66
LogP (Chemaxon):1.69

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue