Chemical ID: 6683788

CCCCCCC1CCCC(=O)O1
Chemical ID:
6683788
Name [?]:
6-hexyltetrahydropyran-2-one
SMILES [?]:
CCCCCCC1CCCC(=O)O1
InChi [?]:
InChI=1/C11H20O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h10H,2-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,9,6,8,10,7,11,12,13/rA:13cCCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s7s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H20O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:7.50411
Area:389.78
Solvation:-2.2404
Coulombic:-18.7228
Bond Count [?]
All:13
Single:12
Double:1
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:184.275
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.67
LogP (Chemaxon):2.87

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Experimental Annotations

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Descriptor Annotations

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