Chemical ID: 6694697

CC(C)CC(=O)OCCCc1ccccc1
Chemical ID:
6694697
Name [?]:
3-phenylpropyl 3-methylbutanoate
SMILES [?]:
CC(C)CC(=O)OCCCc1ccccc1
InChi [?]:
InChI=1/C14H20O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,14,13,15,9,12,16,10,8,4,2,11,5,6,7/E:(1,2)(4,5)(7,8)/rA:16nCCCCCOOCCCCCCCCC/rB:s1;s2;s2;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:9.33369
Area:445.596
Solvation:-1.8062
Coulombic:-20.7931
Bond Count [?]
All:16
Single:12
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:220.307
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.8
LogP (Chemaxon):3.64

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Descriptor Annotations

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