Chemical ID: 5140819

CCC(=O)C(C)CC=C
Chemical ID:
5140819
Name [?]:
4-methylhept-6-en-3-one
SMILES [?]:
CCC(=O)C(C)CC=C
InChi [?]:
InChI=1/C8H14O/c1-4-6-7(3)8(9)5-2/h4,7H,1,5-6H2,2-3H3
InChi Info:
AuxInfo=1/0/N:9,1,6,8,2,7,5,3,4/rA:9cCCCOCCCCC/rB:s1;s2;d3;s3;s5;s5;s7;d8;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H14O
All Atoms:9
Heavy Atoms:9
Chiral Atoms:1
ZAP Information [?]
Total:6.1778
Area:308.641
Solvation:-1.53822
Coulombic:-9.14785
Bond Count [?]
All:8
Single:6
Double:2
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:126.196
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.76
LogP (Chemaxon):2.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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