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Chemical ID: 5106863
Chemical ID:
5106863
Name [?]:
1-(1,4-dioxaspiro[4.5]dec-10-yl)propan-2-ol
SMILES [?]:
CC(CC1CCCCC12OCCO2)O
InChi [?]:
InChI=1/C11H20O3/c1-9(12)8-10-4-2-3-5-11(10)13-6-7-14-11/h9-10,12H,2-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,7,5,8,11,12,3,2,4,9,14,10,13/E:(6,7)(13,14)/rA:14cCCCCCCCCCOCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s9;s10;s11;s9s12;s2;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H20O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.73902 |
Area: | 364.706 |
Solvation: | -3.37864 |
Coulombic: | -34.2414 |
Bond Count [?]
All: | 15 |
Single: | 15 |
Double: | 0 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 200.275 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.56 |
LogP (Chemaxon): | 1.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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