Chemical ID: 5023354

CCC(C)COC(=O)C=CC
Chemical ID:
5023354
Name [?]:
2-methylbutyl but-2-enoate
SMILES [?]:
CCC(C)COC(=O)C=CC
InChi [?]:
InChI=1/C9H16O2/c1-4-6-9(10)11-7-8(3)5-2/h4,6,8H,5,7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:11,1,4,10,2,9,5,3,7,8,6/rA:11cCCCCCOCOCCC/rB:s1;s2;s3;s3;s5;s6;d7;s7;w9;s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H16O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:7.51409
Area:349.158
Solvation:-1.21486
Coulombic:-21.3361
Bond Count [?]
All:10
Single:8
Double:2
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:156.222
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.7
LogP (Chemaxon):2.58

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Descriptor Annotations

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