Chemical ID: 5571583

CC1CCC(C(=O)C12CC2c3ccc(cc3)Cl)C(C)C
Chemical ID:
5571583
Name [?]:
1-(4-chlorophenyl)-5-isopropyl-8-methyl-spiro[2.5]octan-4-one
SMILES [?]:
CC1CCC(C(=O)C12CC2c3ccc(cc3)Cl)C(C)C
InChi [?]:
InChI=1/C18H23ClO/c1-11(2)15-9-4-12(3)18(17(15)20)10-16(18)13-5-7-14(19)8-6-13/h5-8,11-12,15-16H,4,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:19,20,1,3,12,16,13,15,4,9,18,2,11,14,5,10,6,8,17,7/E:(1,2)(5,6)(7,8)/rA:20cCCCCCCOCCCCCCCCCClCCC/rB:s1;s2;s3;s4;s5;d6;s2s6;s8;s8s9;s10;s11;d12;s13;d14;d11s15;s14;s5;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23ClO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:4
ZAP Information [?]
Total:10.2193
Area:471.251
Solvation:-1.56199
Coulombic:-11.2614
Bond Count [?]
All:22
Single:18
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:290.827
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.95
LogP (Chemaxon):5.94

Name Annotations

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Descriptor Annotations

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