Chemical ID: 5178175

c1ccc(cc1)C(=O)CCC2CCCC2
Chemical ID:
5178175
Name [?]:
3-cyclopentyl-1-phenyl-propan-1-one
SMILES [?]:
c1ccc(cc1)C(=O)CCC2CCCC2
InChi [?]:
InChI=1/C14H18O/c15-14(13-8-2-1-3-9-13)11-10-12-6-4-5-7-12/h1-3,8-9,12H,4-7,10-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,13,14,12,15,3,5,10,9,11,4,7,8/E:(2,3)(4,5)(6,7)(8,9)/rA:15nCCCCCCCOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;s13;s11s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.51536
Area:403.429
Solvation:-1.57037
Coulombic:-10.5866
Bond Count [?]
All:16
Single:12
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:202.292
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.56
LogP (Chemaxon):3.4

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Descriptor Annotations

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