Chemical ID: 4961010

CC1=CC(=O)C2(C1C2)C(C)C
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

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Descriptor Annotations

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