Chemical ID: 5571439

CC1CCC(C(C1=O)CO)C(C)C
Chemical ID:
5571439
Name [?]:
2-(hydroxymethyl)-3-isopropyl-6-methyl-cyclohexan-1-one
SMILES [?]:
CC1CCC(C(C1=O)CO)C(C)C
InChi [?]:
InChI=1/C11H20O2/c1-7(2)9-5-4-8(3)11(13)10(9)6-12/h7-10,12H,4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:12,13,1,3,4,9,11,2,5,6,7,10,8/E:(1,2)/rA:13cCCCCCCCOCOCCC/rB:s1;s2;s3;s4;s5;s2s6;d7;s6;s9;s5;s11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H20O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:3
ZAP Information [?]
Total:5.52916
Area:342.021
Solvation:-3.02135
Coulombic:-24.2651
Bond Count [?]
All:13
Single:12
Double:1
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:184.275
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.96
LogP (Chemaxon):2.71

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Descriptor Annotations

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