Chemical ID: 3966412

CCCC(CCC)C(=O)O
Chemical ID:
3966412
Name [?]:
2-propylpentanoic acid
SMILES [?]:
CCCC(CCC)C(=O)O
InChi [?]:
InChI=1/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,7,2,6,3,5,4,8,9,10/E:(1,2)(3,4)(5,6)(9,10)/rA:10nCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H16O2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.76285
Area:322.466
Solvation:-1.29882
Coulombic:-27.755
Bond Count [?]
All:9
Single:8
Double:1
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:144.211
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.74
LogP (Chemaxon):2.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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