Chemical ID: 6659491

CC(C)c1ccc(cc1)CC(C)C=O
Chemical ID:
6659491
Name [?]:
3-(4-isopropylphenyl)-2-methyl-propanal
SMILES [?]:
CC(C)c1ccc(cc1)CC(C)C=O
InChi [?]:
InChI=1/C13H18O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-7,9-11H,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,12,6,8,5,9,10,13,2,11,7,4,14/E:(1,2)(4,5)(6,7)/rA:14cCCCCCCCCCCCCCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s11;d13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:7.65922
Area:391.094
Solvation:-2.11812
Coulombic:-8.80731
Bond Count [?]
All:14
Single:10
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:190.281
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.73
LogP (Chemaxon):3.42

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Descriptor Annotations

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