Chemical ID: 4959328

CCCCOC(=O)c1ccc(cc1)C(C)C
Chemical ID:
4959328
Name [?]:
butyl 4-isopropylbenzoate
SMILES [?]:
CCCCOC(=O)c1ccc(cc1)C(C)C
InChi [?]:
InChI=1/C14H20O2/c1-4-5-10-16-14(15)13-8-6-12(7-9-13)11(2)3/h6-9,11H,4-5,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,16,2,3,10,12,9,13,4,14,11,8,6,7,5/E:(2,3)(6,7)(8,9)/rA:16nCCCCOCOCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.88428
Area:445.468
Solvation:-1.25242
Coulombic:-22.9542
Bond Count [?]
All:16
Single:12
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:220.307
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.71
LogP (Chemaxon):4.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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