Chemical ID: 5138977

CC(=CC(=O)OC(C)(C)C)C
Chemical ID:
5138977
Name [?]:
tert-butyl 3-methylbut-2-enoate
SMILES [?]:
CC(=CC(=O)OC(C)(C)C)C
InChi [?]:
InChI=1/C9H16O2/c1-7(2)6-8(10)11-9(3,4)5/h6H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,11,8,9,10,3,2,4,7,5,6/E:(1,2)(3,4,5)/rA:11nCCCCOOCCCCC/rB:s1;d2;s3;d4;s4;s6;s7;s7;s7;s2;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H16O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:7.24384
Area:334.572
Solvation:-1.12046
Coulombic:-20.4278
Bond Count [?]
All:10
Single:8
Double:2
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:156.222
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.42
LogP (Chemaxon):1.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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