Chemical ID: 4683050

CC(C)CCC(=CCC1CCCCC1=O)CCC(C)C
Chemical ID:
4683050
Name [?]:
2-(3-isopentyl-6-methyl-hept-2-enyl)cyclohexan-1-one
SMILES [?]:
CC(C)CCC(=CCC1CCCCC1=O)CCC(C)C
InChi [?]:
InChI=1/C19H34O/c1-15(2)9-11-17(12-10-16(3)4)13-14-18-7-5-6-8-19(18)20/h13,15-16,18H,5-12,14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,19,20,11,12,10,13,4,17,5,16,7,8,2,18,6,9,14,15/E:(1,2,3,4)(9,10)(11,12)(15,16)/rA:20cCCCCCCCCCCCCCCOCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;s8;s9;s10;s11;s12;s9s13;d14;s6;s16;s17;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H34O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:11.7794
Area:532.738
Solvation:-1.53909
Coulombic:-10.985
Bond Count [?]
All:20
Single:18
Double:2
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:278.473
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.31
LogP (Chemaxon):6.21

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Descriptor Annotations

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