Chemical ID: 6486622

CCCCCC(=O)c1ccc(cc1)C2CCCC2
Chemical ID:
6486622
Name [?]:
1-(4-cyclopentylphenyl)hexan-1-one
SMILES [?]:
CCCCCC(=O)c1ccc(cc1)C2CCCC2
InChi [?]:
InChI=1/C17H24O/c1-2-3-4-9-17(18)16-12-10-15(11-13-16)14-7-5-6-8-14/h10-14H,2-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,16,17,15,18,5,10,12,9,13,14,11,8,6,7/E:(5,6)(7,8)(10,11)(12,13)/rA:18nCCCCCCOCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;s15;s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H24O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:10.3341
Area:475.573
Solvation:-1.55523
Coulombic:-11.1136
Bond Count [?]
All:19
Single:15
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:244.372
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.03
LogP (Chemaxon):4.65

Name Annotations

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Descriptor Annotations

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