Chemical ID: 4556804

C1CCC2=C(C1)CC3CCCC2C3=O
Chemical ID:
4556804
Name [?]:
None
SMILES [?]:
C1CCC2=C(C1)CC3CCCC2C3=O
InChi [?]:
InChI=1/C13H18O/c14-13-10-5-3-7-12(13)11-6-2-1-4-9(11)8-10/h10,12H,1-8H2
InChi Info:
AuxInfo=1/0/N:1,2,10,6,9,3,11,7,5,8,4,12,13,14/rA:14cCCCCCCCCCCCCCO/rB:s1;s2;s3;d4;s1s5;s5;s7;s8;s9;s10;s4s11;s8s12;d13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:2
ZAP Information [?]
Total:6.99384
Area:339.305
Solvation:-1.48878
Coulombic:-8.58369
Bond Count [?]
All:16
Single:14
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:190.281
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.04
LogP (Chemaxon):2.88

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Descriptor Annotations

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