Chemical ID: 4569005

CCc1cc(=O)oc2c1cc3c(c2)occ3C(C)(C)C
Chemical ID:
4569005
Name [?]:
None
SMILES [?]:
CCc1cc(=O)oc2c1cc3c(c2)occ3C(C)(C)C
InChi [?]:
InChI=1/C17H18O3/c1-5-10-6-16(18)20-15-8-14-12(7-11(10)15)13(9-19-14)17(2,3)4/h6-9H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,18,19,20,2,4,10,13,15,3,9,11,16,12,8,5,17,6,14,7/E:(2,3,4)/rA:20nCCCCCOOCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;s5;s7;s3s8;d9;s10;d11;d8s12;s12;s14;s11d15;s16;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.34904
Area:445.402
Solvation:-2.78603
Coulombic:-26.5764
Bond Count [?]
All:22
Single:16
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:270.323
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.16
LogP (Chemaxon):5.18

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Experimental Annotations

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Descriptor Annotations

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