Chemical ID: 4623003

CCc1ccc(cc1)CC(C)(C)C=O
Chemical ID:
4623003
Name [?]:
3-(4-ethylphenyl)-2,2-dimethyl-propanal
SMILES [?]:
CCc1ccc(cc1)CC(C)(C)C=O
InChi [?]:
InChI=1/C13H18O/c1-4-11-5-7-12(8-6-11)9-13(2,3)10-14/h5-8,10H,4,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,11,12,2,4,8,5,7,9,13,3,6,10,14/E:(2,3)(5,6)(7,8)/rA:14nCCCCCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s10;s10;d13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.41775
Area:379.64
Solvation:-2.07325
Coulombic:-8.95022
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:3.43
LogP (Chemaxon):3.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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