Chemical ID: 6694831

CCCOC(=O)C(=CC)C
Chemical ID:
6694831
Name [?]:
propyl 2-methylbut-2-enoate
SMILES [?]:
CCCOC(=O)C(=CC)C
InChi [?]:
InChI=1/C8H14O2/c1-4-6-10-8(9)7(3)5-2/h5H,4,6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,9,10,2,8,3,7,5,6,4/rA:10nCCCOCOCCCC/rB:s1;s2;s3;s4;d5;s5;w7;s8;s7;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H14O2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:7.01076
Area:326.596
Solvation:-1.15415
Coulombic:-20.9636
Bond Count [?]
All:9
Single:7
Double:2
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:142.196
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.98
LogP (Chemaxon):2.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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