Chemical ID: 3969569

CCCCCC
Chemical ID:
3969569
Name [?]:
hexane
SMILES [?]:
CCCCCC
InChi [?]:
InChI=1/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,6,2,5,3,4/E:(1,2)(3,4)(5,6)/rA:6nCCCCCC/rB:s1;s2;s3;s4;s5;/rC:;;;;;;

Chemical Details

Atom Count
Formula:C6H14
All Atoms:6
Heavy Atoms:6
Chiral Atoms:0
ZAP Information [?]
Total:6.46125
Area:260.464
Solvation:-0.050356
Coulombic:-2.2377
Bond Count [?]
All:5
Single:5
Double:0
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:86.1754
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.75
LogP (Chemaxon):2.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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