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Chemical ID: 4950562
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
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Experimental Annotations
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Descriptor Annotations
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