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Chemical ID: 6427249
Chemical ID:
6427249
Name [?]:
1-(2-naphthyl)pentane-1,4-dione
SMILES [?]:
CC(=O)CCC(=O)c1ccc2ccccc2c1
InChi [?]:
InChI=1/C15H14O2/c1-11(16)6-9-15(17)14-8-7-12-4-2-3-5-13(12)10-14/h2-5,7-8,10H,6,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,12,15,4,10,9,5,17,2,11,16,8,6,3,7/rA:17nCCOCCCOCCCCCCCCCC/rB:s1;d2;s2;s4;s5;d6;s6;s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.88136 |
Area: | 426.422 |
Solvation: | -2.77918 |
Coulombic: | -15.8677 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 226.27 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.76 |
LogP (Chemaxon): | 2.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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