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Chemical ID: 4556254
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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