Chemical ID: 6668593

C(CCOCCCCC#N)CC#N
Chemical ID:
6668593
Name [?]:
5-(4-cyanobutoxy)pentanenitrile
SMILES [?]:
C(CCOCCCCC#N)CC#N
InChi [?]:
InChI=1/C10H16N2O/c11-7-3-1-5-9-13-10-6-2-4-8-12/h1-6,9-10H2
InChi Info:
AuxInfo=1/0/N:1,7,11,8,2,6,12,9,3,5,13,10,4/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:13nCCCOCCCCCNCCN/rB:s1;s2;s3;s4;s5;s6;s7;s8;t9;s1;s11;t12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H16N2O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.18562
Area:430.73
Solvation:-3.58262
Coulombic:-12.1239
Bond Count [?]
All:12
Single:10
Double:0
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:180.247
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.75
LogP (Chemaxon):1.43

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Descriptor Annotations

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