Chemical ID: 5571245

CC1CCC(C1(C)C)(C)C(=O)Cc2ccccc2
Chemical ID:
5571245
Name [?]:
2-phenyl-1-(1,2,2,3-tetramethylcyclopentyl)-ethanone
SMILES [?]:
CC1CCC(C1(C)C)(C)C(=O)Cc2ccccc2
InChi [?]:
InChI=1/C17H24O/c1-13-10-11-17(4,16(13,2)3)15(18)12-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,7,8,9,16,15,17,14,18,3,4,12,2,13,10,6,5,11/E:(2,3)(6,7)(8,9)/rA:18cCCCCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s6;s5;s5;d10;s10;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H24O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:8.63515
Area:425.423
Solvation:-2.00043
Coulombic:-10.3073
Bond Count [?]
All:19
Single:15
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:244.372
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.88
LogP (Chemaxon):5.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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