Chemical ID: 4556254

CC1CC(=O)C=C2C1(CC(CC2)C(=C)C)C
Chemical ID:
4556254
Name [?]:
6-isopropenyl-4,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
SMILES [?]:
CC1CC(=O)C=C2C1(CC(CC2)C(=C)C)C
InChi [?]:
InChI=1/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3
InChi Info:
AuxInfo=1/0/N:14,15,1,16,11,12,3,6,9,13,2,10,7,4,8,5/rA:16cCCCCOCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s2s7;s8;s9;s10;s7s11;s10;d13;s13;s8;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:3
ZAP Information [?]
Total:8.24706
Area:391.997
Solvation:-1.55287
Coulombic:-10.405
Bond Count [?]
All:17
Single:14
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:218.335
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.66
LogP (Chemaxon):3.81

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Descriptor Annotations

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