Chemical ID: 4214688

CCCCCC(=O)C1CCCCC1=O
Chemical ID:
4214688
Name [?]:
2-hexanoylcyclohexan-1-one
SMILES [?]:
CCCCCC(=O)C1CCCCC1=O
InChi [?]:
InChI=1/C12H20O2/c1-2-3-4-8-11(13)10-7-5-6-9-12(10)14/h10H,2-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,10,11,9,5,12,8,6,13,7,14/rA:14cCCCCCCOCCCCCCO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;d13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H20O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:6.89741
Area:395.702
Solvation:-2.99514
Coulombic:-14.2883
Bond Count [?]
All:14
Single:12
Double:2
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:196.286
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.31
LogP (Chemaxon):3.69

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Descriptor Annotations

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