Chemical ID: 5209666

CCCC1(CCC(=O)C=C1)C
Chemical ID:
5209666
Name [?]:
4-methyl-4-propyl-cyclohex-2-en-1-one
SMILES [?]:
CCCC1(CCC(=O)C=C1)C
InChi [?]:
InChI=1/C10H16O/c1-3-6-10(2)7-4-9(11)5-8-10/h4,7H,3,5-6,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,9,6,3,10,5,7,4,8/rA:11cCCCCCCCOCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s4d9;s4;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H16O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:6.65308
Area:323.521
Solvation:-1.43494
Coulombic:-9.3651
Bond Count [?]
All:11
Single:9
Double:2
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:152.233
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.82
LogP (Chemaxon):3.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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