Chemical ID: 4257408

CC(=O)C12CC3CC(C1)CC(C3)C2
Chemical ID:
4257408
Name [?]:
1-(1-adamantyl)ethanone
SMILES [?]:
CC(=O)C12CC3CC(C1)CC(C3)C2
InChi [?]:
InChI=1/C12H18O/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,10,12,9,5,13,2,8,6,11,4,3/E:(2,3,4)(5,6,7)(9,10,11)/rA:13nCCOCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s4s8;s8;s10;s6s11;s4s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.46632
Area:317.848
Solvation:-1.47988
Coulombic:-8.00257
Bond Count [?]
All:15
Single:14
Double:1
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:178.271
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.14
LogP (Chemaxon):2.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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