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Chemical ID: 5072151
Chemical ID:
5072151
Name [?]:
None
SMILES [?]:
CCOC(=O)C1CC12C3CCC(C3)C2(C)C
InChi [?]:
InChI=1/C14H22O2/c1-4-16-12(15)11-8-14(11)10-6-5-9(7-10)13(14,2)3/h9-11H,4-8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,16,2,11,10,13,7,12,9,6,4,14,8,5,3/E:(2,3)/rA:16cCCOCOCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s6s7;s8;s9;s10;s11;s9s12;s8s12;s14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H22O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 8.54624 |
Area: | 394.498 |
Solvation: | -1.31621 |
Coulombic: | -19.9339 |
Bond Count [?]
All: | 18 |
Single: | 17 |
Double: | 1 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 222.323 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.57 |
LogP (Chemaxon): | 2.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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