Chemical ID: 4951189

COc1ccc(cc1)C(=O)OC2CCCC2
Chemical ID:
4951189
Name [?]:
cyclopentyl 4-methoxybenzoate
SMILES [?]:
COc1ccc(cc1)C(=O)OC2CCCC2
InChi [?]:
InChI=1/C13H16O3/c1-15-11-8-6-10(7-9-11)13(14)16-12-4-2-3-5-12/h6-9,12H,2-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,13,16,5,7,4,8,6,3,12,9,10,2,11/E:(2,3)(4,5)(6,7)(8,9)/rA:16nCOCCCCCCCOOCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s12s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16O3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.77459
Area:413.122
Solvation:-2.55346
Coulombic:-28.5169
Bond Count [?]
All:17
Single:13
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:220.264
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.13
LogP (Chemaxon):2.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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