Chemical ID: 5231939

CC1CCCC(=O)C=C1
Chemical ID:
5231939
Name [?]:
4-methylcyclohept-2-en-1-one
SMILES [?]:
CC1CCCC(=O)C=C1
InChi [?]:
InChI=1/C8H12O/c1-7-3-2-4-8(9)6-5-7/h5-7H,2-4H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,5,9,8,2,6,7/rA:9cCCCCCCOCC/rB:s1;s2;s3;s4;s5;d6;s6;s2d8;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H12O
All Atoms:9
Heavy Atoms:9
Chiral Atoms:1
ZAP Information [?]
Total:5.40665
Area:276.506
Solvation:-1.50599
Coulombic:-8.72381
Bond Count [?]
All:9
Single:7
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:124.18
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.84
LogP (Chemaxon):2.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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