Chemical ID: 5232119

C1CC(C=C1)CCCCCCC=CCCCCC(=O)O
Chemical ID:
5232119
Name [?]:
13-(1-cyclopent-2-enyl)tridec-6-enoic acid
SMILES [?]:
C1CC(C=C1)CCCCCCC=CCCCCC(=O)O
InChi [?]:
InChI=1/C18H30O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h2,4,11,14,17H,1,3,5-10,12-13,15-16H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:11,12,10,13,9,14,8,15,7,16,5,1,6,4,2,17,3,18,19,20/E:(19,20)/rA:20cCCCCCCCCCCCCCCCCCCOO/rB:s1;s2;s3;s1d4;s3;s6;s7;s8;s9;s10;s11;w12;s13;s14;s15;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H30O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:12.4763
Area:569.244
Solvation:-1.75482
Coulombic:-30.6369
Bond Count [?]
All:20
Single:17
Double:3
Rotors:12
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:278.43
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.58
LogP (Chemaxon):5.31

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