Chemical ID: 4513589

C1C2CC3CC(C2)(CC1C3=O)O
Chemical ID:
4513589
Name [?]:
5-hydroxyadamantan-2-one
SMILES [?]:
C1C2CC3CC(C2)(CC1C3=O)O
InChi [?]:
InChI=1/C10H14O2/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-8,12H,1-5H2
InChi Info:
AuxInfo=1/0/N:1,3,7,8,5,2,9,4,10,6,11,12/E:(1,2)(4,5)(7,8)/rA:12cCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s2s6;s6;s1s8;s4s9;d10;s6;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:2
ZAP Information [?]
Total:4.81306
Area:294.237
Solvation:-2.54288
Coulombic:-23.5568
Bond Count [?]
All:14
Single:13
Double:1
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:166.217
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.3
LogP (Chemaxon):1.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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