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Chemical ID: 4583635
Chemical ID:
4583635
Name [?]:
4-methyl-1-oxaspiro[5.5]undecane
SMILES [?]:
CC1CCOC2(C1)CCCCC2
InChi [?]:
InChI=1/C11H20O/c1-10-5-8-12-11(9-10)6-3-2-4-7-11/h10H,2-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,9,11,3,8,12,4,7,2,6,5/E:(3,4)(6,7)/rA:12cCCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s6s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H20O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.53026 |
Area: | 322.008 |
Solvation: | -1.51994 |
Coulombic: | -9.25885 |
Bond Count [?]
All: | 13 |
Single: | 13 |
Double: | 0 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 168.276 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.21 |
LogP (Chemaxon): | 2.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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