Chemical ID: 5232124

COC(=O)CCCCC=CCCCCCCC1CCC=C1
Chemical ID:
5232124
Name [?]:
methyl 13-(1-cyclopent-2-enyl)tridec-6-enoate
SMILES [?]:
COC(=O)CCCCC=CCCCCCCC1CCC=C1
InChi [?]:
InChI=1/C19H32O2/c1-21-19(20)17-11-9-7-5-3-2-4-6-8-10-14-18-15-12-13-16-18/h3,5,12,15,18H,2,4,6-11,13-14,16-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,9,13,8,14,7,15,6,20,19,16,21,18,5,17,3,4,2/rA:21cCOCOCCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;w9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s17d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H32O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:13.0566
Area:596.012
Solvation:-1.84366
Coulombic:-22.7609
Bond Count [?]
All:21
Single:18
Double:3
Rotors:13
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:292.456
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.9
LogP (Chemaxon):5.35

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Descriptor Annotations

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