Chemical ID: 6684673

CCC(C)OC(=O)C(=CC)C
Chemical ID:
6684673
Name [?]:
sec-butyl 2-methylbut-2-enoate
SMILES [?]:
CCC(C)OC(=O)C(=CC)C
InChi [?]:
InChI=1/C9H16O2/c1-5-7(3)9(10)11-8(4)6-2/h5,8H,6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:10,1,11,4,9,2,8,3,6,7,5/rA:11cCCCCOCOCCCC/rB:s1;s2;s3;s3;s5;d6;s6;w8;s9;s8;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H16O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:7.4324
Area:341.001
Solvation:-1.09263
Coulombic:-21.1608
Bond Count [?]
All:10
Single:8
Double:2
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:156.222
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.44
LogP (Chemaxon):2.47

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Descriptor Annotations

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