Chemical ID: 4255707

CCC(=O)C12CC3CC(C1)CC(C3)C2
Chemical ID:
4255707
Name [?]:
1-(1-adamantyl)propan-1-one
SMILES [?]:
CCC(=O)C12CC3CC(C1)CC(C3)C2
InChi [?]:
InChI=1/C13H20O/c1-2-12(14)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,2-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,11,13,10,6,14,9,7,12,3,5,4/E:(3,4,5)(6,7,8)(9,10,11)/rA:14nCCCOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s5s9;s9;s11;s7s12;s5s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.13113
Area:341.6
Solvation:-1.40887
Coulombic:-8.52334
Bond Count [?]
All:16
Single:15
Double:1
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:192.297
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.4
LogP (Chemaxon):3.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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