Chemical ID: 4734445

CCOC(=O)c1ccc(cc1)C(C)(C)C
Chemical ID:
4734445
Name [?]:
ethyl 4-tert-butylbenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)C(C)(C)C
InChi [?]:
InChI=1/C13H18O2/c1-5-15-12(14)10-6-8-11(9-7-10)13(2,3)4/h6-9H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,13,14,15,2,7,11,8,10,6,9,4,12,5,3/E:(2,3,4)(6,7)(8,9)/rA:15nCCOCOCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;s12;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.87757
Area:406.393
Solvation:-1.28227
Coulombic:-22.3963
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:206.281
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.2
LogP (Chemaxon):3.56

Name Annotations

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Descriptor Annotations

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