Chemical ID: 4959730

CCCCCCC(C)N1C(=O)c2ccccc2C1=O
Chemical ID:
4959730
Name [?]:
2-(1-methylheptyl)isoindoline-1,3-dione
SMILES [?]:
CCCCCCC(C)N1C(=O)c2ccccc2C1=O
InChi [?]:
InChI=1/C16H21NO2/c1-3-4-5-6-9-12(2)17-15(18)13-10-7-8-11-14(13)16(17)19/h7-8,10-12H,3-6,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,2,3,4,5,14,15,6,13,16,7,12,17,10,18,9,11,19/E:(7,8)(10,11)(13,14)(15,16)(18,19)/rA:19cCCCCCCCCNCOCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s7;s9;d10;s10;s12;d13;s14;d15;d12s16;s9s17;d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H21NO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:10.1682
Area:475.353
Solvation:-1.71562
Coulombic:-29.2002
Bond Count [?]
All:20
Single:15
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:259.343
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.65
LogP (Chemaxon):3.44

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