Chemical ID: 4587599

CC(C)C=C1CCCCC1=O
Chemical ID:
4587599
Name [?]:
2-(2-methylpropylidene)cyclohexan-1-one
SMILES [?]:
CC(C)C=C1CCCCC1=O
InChi [?]:
InChI=1/C10H16O/c1-8(2)7-9-5-3-4-6-10(9)11/h7-8H,3-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,7,8,6,9,4,2,5,10,11/E:(1,2)/rA:11nCCCCCCCCCCO/rB:s1;s2;s2;w4;s5;s6;s7;s8;s5s9;d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H16O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.76918
Area:329.849
Solvation:-1.47705
Coulombic:-9.10949
Bond Count [?]
All:11
Single:9
Double:2
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:152.233
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.45
LogP (Chemaxon):3.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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