Chemical ID: 6546949

CCCCC
Chemical ID:
6546949
Name [?]:
pentane
SMILES [?]:
CCCCC
InChi [?]:
InChI=1/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,3/E:(1,2)(3,4)/rA:5nCCCCC/rB:s1;s2;s3;s4;/rC:;;;;;

Chemical Details

Atom Count
Formula:C5H12
All Atoms:5
Heavy Atoms:5
Chiral Atoms:0
ZAP Information [?]
Total:5.7792
Area:232.719
Solvation:-0.038773
Coulombic:-1.93367
Bond Count [?]
All:4
Single:4
Double:0
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:72.1488
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.19
LogP (Chemaxon):2.49

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue