Chemical ID: 4556603

CC1CC(=CCC1(C)C(=O)C)CCC=C(C)C
Chemical ID:
4556603
Name [?]:
1-[1,6-dimethyl-4-(4-methylpent-3-enyl)-1-cyclohex-3-enyl]ethanone
SMILES [?]:
CC1CC(=CCC1(C)C(=O)C)CCC=C(C)C
InChi [?]:
InChI=1/C16H26O/c1-12(2)7-6-8-15-9-10-16(5,14(4)17)13(3)11-15/h7,9,13H,6,8,10-11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:16,17,1,11,8,13,14,12,5,6,3,15,2,9,4,7,10/E:(1,2)/rA:17cCCCCCCCCCOCCCCCCC/rB:s1;s2;s3;d4;s5;s2s6;s7;s7;d9;s9;s4;s12;s13;d14;s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H26O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:9.53545
Area:448.802
Solvation:-1.68459
Coulombic:-9.85676
Bond Count [?]
All:17
Single:14
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:234.377
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.12
LogP (Chemaxon):4.62

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Descriptor Annotations

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