Chemical ID: 5072151

CCOC(=O)C1CC12C3CCC(C3)C2(C)C
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

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Descriptor Annotations

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