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Chemical ID: 6668593
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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