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Chemical ID: 5226883
Chemical ID:
5226883
Name [?]:
None
SMILES [?]:
CC1(CCCC2(C1CCC34C2(O3)CC(CC4)O)C)COC
InChi [?]:
InChI=1/C18H30O3/c1-15(12-20-3)7-4-8-16(2)14(15)6-10-17-9-5-13(19)11-18(16,17)21-17/h13-14,19H,4-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,21,4,15,8,3,5,16,9,13,19,14,7,2,6,10,11,17,20,12/rA:21cCCCCCCCCCCCOCCCCOCCOC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s6s10;s10s11;s11;s13;s14;s10s15;s14;s6;s2;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H30O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 6 |
ZAP Information [?]
Total: | 7.10373 |
Area: | 456.363 |
Solvation: | -4.30535 |
Coulombic: | -34.6181 |
Bond Count [?]
All: | 24 |
Single: | 24 |
Double: | 0 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 294.429 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.94 |
LogP (Chemaxon): | 2.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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