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Chemical ID: 4961010
Chemical ID:
4961010
Name [?]:
1-isopropyl-4-methyl-bicyclo[3.1.0]hex-3-en-2-one
SMILES [?]:
CC1=CC(=O)C2(C1C2)C(C)C
InChi [?]:
InChI=1/C10H14O/c1-6(2)10-5-8(10)7(3)4-9(10)11/h4,6,8H,5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:10,11,1,3,8,9,2,7,4,6,5/E:(1,2)/rA:11cCCCCOCCCCCC/rB:s1;d2;s3;d4;s4;s2s6;s6s7;s6;s9;s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14O |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.50809 |
Area: | 313.473 |
Solvation: | -1.32872 |
Coulombic: | -9.15008 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 150.218 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.43 |
LogP (Chemaxon): | 2.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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