Chemical ID: 5083851

C1CC(C=C1)CCCCCCCCCCCCC(=O)O
Chemical ID:
5083851
Name [?]:
13-(1-cyclopent-2-enyl)tridecanoic acid
SMILES [?]:
C1CC(C=C1)CCCCCCCCCCCCC(=O)O
InChi [?]:
InChI=1/C18H32O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h11,14,17H,1-10,12-13,15-16H2,(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;s12;s13;s14;s15;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H32O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:12.7867
Area:576.889
Solvation:-1.63558
Coulombic:-30.2076
Bond Count [?]
All:20
Single:18
Double:2
Rotors:13
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:280.445
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.1
LogP (Chemaxon):5.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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