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Chemical ID: 4958804
Chemical ID:
4958804
Name [?]:
1-(4-isopropyl-1-cyclopentenyl)ethanone
SMILES [?]:
CC(C)C1CC=C(C1)C(=O)C
InChi [?]:
InChI=1/C10H16O/c1-7(2)9-4-5-10(6-9)8(3)11/h5,7,9H,4,6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,11,5,6,8,2,9,4,7,10/E:(1,2)/rA:11cCCCCCCCCCOC/rB:s1;s2;s2;s4;s5;d6;s4s7;s7;d9;s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H16O |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.69701 |
Area: | 330.024 |
Solvation: | -1.5536 |
Coulombic: | -8.71583 |
Bond Count [?]
All: | 11 |
Single: | 9 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 152.233 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.71 |
LogP (Chemaxon): | 2.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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