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Chemical ID: 6427195
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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