Chemical ID: 6676568

CCCCC(=O)c1cc(cc(c1)OC)OC
Chemical ID:
6676568
Name [?]:
1-(3,5-dimethoxyphenyl)pentan-1-one
SMILES [?]:
CCCCC(=O)c1cc(cc(c1)OC)OC
InChi [?]:
InChI=1/C13H18O3/c1-4-5-6-13(14)10-7-11(15-2)9-12(8-10)16-3/h7-9H,4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,14,16,2,3,4,12,8,10,7,11,9,5,6,13,15/E:(2,3)(7,8)(11,12)(15,16)/rA:16nCCCCCOCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s11;s13;s9;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18O3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.40315
Area:426.053
Solvation:-4.24817
Coulombic:-22.018
Bond Count [?]
All:16
Single:12
Double:4
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:222.28
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.08
LogP (Chemaxon):2.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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