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Chemical ID: 4664300
Chemical ID:
4664300
Name [?]:
2,6-diethyl-4-methyl-pyran
SMILES [?]:
CCc1cc(cc([o+]1)CC)C
InChi [?]:
InChI=1/C10H15O/c1-4-9-6-8(3)7-10(5-2)11-9/h6-7H,4-5H2,1-3H3/q+1
InChi Info:
AuxInfo=1/0/N:1,10,11,2,9,4,6,5,3,7,8/E:(1,2)(4,5)(6,7)(9,10)/CRV:11+1/rA:11nCCCCCCCO+CCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H15O+ |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -17.4785 |
Area: | 332.887 |
Solvation: | -25.8007 |
Coulombic: | 21.3204 |
Bond Count [?]
All: | 11 |
Single: | 8 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 151.225 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.22 |
LogP (Chemaxon): | 3.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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