Chemical ID: 4960806

CCCCC(=O)OCCCc1ccccc1
Chemical ID:
4960806
Name [?]:
3-phenylpropyl pentanoate
SMILES [?]:
CCCCC(=O)OCCCc1ccccc1
InChi [?]:
InChI=1/C14H20O2/c1-2-3-11-14(15)16-12-7-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,14,13,15,9,12,16,10,4,8,11,5,6,7/E:(5,6)(8,9)/rA:16nCCCCCOOCCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.57532
Area:455.861
Solvation:-1.82122
Coulombic:-20.7686
Bond Count [?]
All:16
Single:12
Double:4
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:220.307
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.86
LogP (Chemaxon):3.71

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Descriptor Annotations

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