Chemical ID: 5576871

CC(C)(Cc1ccccc1)C(=O)OC
Chemical ID:
5576871
Name [?]:
methyl 2,2-dimethyl-3-phenyl-propanoate
SMILES [?]:
CC(C)(Cc1ccccc1)C(=O)OC
InChi [?]:
InChI=1/C12H16O2/c1-12(2,11(13)14-3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,14,8,7,9,6,10,4,5,11,2,12,13/E:(1,2)(5,6)(7,8)/rA:14nCCCCCCCCCCCOOC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s2;d11;s11;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.59868
Area:369.677
Solvation:-1.64324
Coulombic:-20.9368
Bond Count [?]
All:14
Single:10
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:192.254
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.43
LogP (Chemaxon):3.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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