Chemical ID: 6668613

CCOC(=O)CCCCCCCCCCCCC1=CCCC1
Chemical ID:
6668613
Name [?]:
ethyl 13-(1-cyclopentenyl)tridecanoate
SMILES [?]:
CCOC(=O)CCCCCCCCCCCCC1=CCCC1
InChi [?]:
InChI=1/C20H36O2/c1-2-22-20(21)18-12-10-8-6-4-3-5-7-9-11-15-19-16-13-14-17-19/h16H,2-15,17-18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,12,11,13,10,14,9,15,8,16,7,20,21,17,19,22,6,18,4,5,3/rA:22nCCOCOCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s19;s20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H36O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:14.1487
Area:631.787
Solvation:-1.64598
Coulombic:-22.0465
Bond Count [?]
All:22
Single:20
Double:2
Rotors:15
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:308.499
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.3
LogP (Chemaxon):5.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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