Chemical ID: 3969480

CCC(=O)CC
Chemical ID:
3969480
Name [?]:
pentan-3-one
SMILES [?]:
CCC(=O)CC
InChi [?]:
InChI=1/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,6,2,5,3,4/E:(1,2)(3,4)/rA:6nCCCOCC/rB:s1;s2;d3;s3;s5;/rC:;;;;;;

Chemical Details

Atom Count
Formula:C5H10O
All Atoms:6
Heavy Atoms:6
Chiral Atoms:0
ZAP Information [?]
Total:4.46451
Area:240.875
Solvation:-1.55738
Coulombic:-6.81253
Bond Count [?]
All:5
Single:4
Double:1
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:86.1323
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.69
LogP (Chemaxon):1.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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