Chemical ID: 4221303

CCCCCC(=O)Oc1ccc(cc1)c2ccccc2
Chemical ID:
4221303
Name [?]:
(4-phenylphenyl) hexanoate
SMILES [?]:
CCCCCC(=O)Oc1ccc(cc1)c2ccccc2
InChi [?]:
InChI=1/C18H20O2/c1-2-3-5-10-18(19)20-17-13-11-16(12-14-17)15-8-6-4-7-9-15/h4,6-9,11-14H,2-3,5,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,18,4,17,19,16,20,5,11,13,10,14,15,12,9,6,7,8/E:(6,7)(8,9)(11,12)(13,14)/rA:20nCCCCCCOOCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s12;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.6907
Area:505.359
Solvation:-1.94325
Coulombic:-21.5099
Bond Count [?]
All:21
Single:14
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:268.35
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.71
LogP (Chemaxon):5.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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