Chemical ID: 4969857

c1ccc(cc1)CCC2CCCCC2=O
Chemical ID:
4969857
Name [?]:
2-phenethylcyclohexan-1-one
SMILES [?]:
c1ccc(cc1)CCC2CCCCC2=O
InChi [?]:
InChI=1/C14H18O/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,12,3,5,10,13,7,8,4,9,14,15/E:(2,3)(6,7)/rA:15cCCCCCCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s9s13;d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:7.93212
Area:388.508
Solvation:-1.78057
Coulombic:-9.50507
Bond Count [?]
All:16
Single:12
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:202.292
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.23
LogP (Chemaxon):4.1

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Descriptor Annotations

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