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Chemical ID: 6659491
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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