Chemical ID: 4664300

CCc1cc(cc([o+]1)CC)C
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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