Chemical ID: 6427195

CC1CC(CC1=O)c2ccc3ccccc3c2
Chemical ID:
6427195
Name [?]:
2-methyl-4-(2-naphthyl)cyclopentan-1-one
SMILES [?]:
CC1CC(CC1=O)c2ccc3ccccc3c2
InChi [?]:
InChI=1/C16H16O/c1-11-8-15(10-16(11)17)14-7-6-12-4-2-3-5-13(12)9-14/h2-7,9,11,15H,8,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,12,15,10,9,3,17,5,2,11,16,8,4,6,7/rA:17cCCCCCCOCCCCCCCCCC/rB:s1;s2;s3;s4;s2s5;d6;s4;s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:8.03193
Area:407.913
Solvation:-2.16588
Coulombic:-9.35918
Bond Count [?]
All:19
Single:13
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:224.298
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.29
LogP (Chemaxon):4.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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