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Chemical ID: 6637531
Chemical ID:
6637531
Name [?]:
5-methyl-6-tetrahydrofuran-2-yl-hexan-2-ol
SMILES [?]:
CC(CCC(C)O)CC1CCCO1
InChi [?]:
InChI=1/C11H22O2/c1-9(5-6-10(2)12)8-11-4-3-7-13-11/h9-12H,3-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,6,11,10,3,4,12,8,2,5,9,7,13/rA:13cCCCCCCOCCCCCO/rB:s1;s2;s3;s4;s5;s5;s2;s8;s9;s10;s11;s9s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H22O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 6.76456 |
Area: | 380.369 |
Solvation: | -2.74466 |
Coulombic: | -25.3144 |
Bond Count [?]
All: | 13 |
Single: | 13 |
Double: | 0 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 186.291 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.25 |
LogP (Chemaxon): | 2.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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