Chemical ID: 5232122

COC(=O)CCCCCCCCCCCC1CCC=C1
Chemical ID:
5232122
Name [?]:
methyl 12-(1-cyclopent-2-enyl)dodecanoate
SMILES [?]:
COC(=O)CCCCCCCCCCCC1CCC=C1
InChi [?]:
InChI=1/C18H32O2/c1-20-18(19)16-10-8-6-4-2-3-5-7-9-13-17-14-11-12-15-17/h11,14,17H,2-10,12-13,15-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,11,9,12,8,13,7,14,6,19,18,15,20,17,5,16,3,4,2/rA:20cCOCOCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s16d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H32O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:12.6298
Area:574.789
Solvation:-1.73989
Coulombic:-22.0248
Bond Count [?]
All:20
Single:18
Double:2
Rotors:13
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:280.445
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.06
LogP (Chemaxon):5.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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