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Chemical ID: 5049739
Chemical ID:
5049739
Name [?]:
1-(2-ethylhexoxy)propan-2-ol
SMILES [?]:
CCCCC(CC)COCC(C)O
InChi [?]:
InChI=1/C11H24O2/c1-4-6-7-11(5-2)9-13-8-10(3)12/h10-12H,4-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,7,12,2,6,3,4,10,8,11,5,13,9/rA:13cCCCCCCCCOCCCO/rB:s1;s2;s3;s4;s5;s6;s5;s8;s9;s10;s11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H24O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.02647 |
Area: | 416.781 |
Solvation: | -3.39305 |
Coulombic: | -26.0329 |
Bond Count [?]
All: | 12 |
Single: | 12 |
Double: | 0 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 188.307 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.12 |
LogP (Chemaxon): | 2.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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