Chemical ID: 5625809

CC12CCC(CC1)(CC2)CC(=O)c3ccccc3
Chemical ID:
5625809
Name [?]:
2-(1-methyl-4-bicyclo[2.2.2]octyl)-1-phenyl-ethanone
SMILES [?]:
CC12CCC(CC1)(CC2)CC(=O)c3ccccc3
InChi [?]:
InChI=1/C17H22O/c1-16-7-10-17(11-8-16,12-9-16)13-15(18)14-5-3-2-4-6-14/h2-6H,7-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,14,18,3,7,9,4,6,8,10,13,11,2,5,12/E:(3,4)(5,6)(7,8,9)(10,11,12)/rA:18nCCCCCCCCCCCOCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s2s8;s5;s10;d11;s11;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.99776
Area:419.177
Solvation:-1.48167
Coulombic:-10.8734
Bond Count [?]
All:20
Single:16
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:242.356
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.94
LogP (Chemaxon):4.09

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Descriptor Annotations

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