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25564-22-1,MFCD00036631
Catalog No.:AA003HRF
25564-22-1 | 2-Pentyl-2-cyclopenten-1-one
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Technical Information
Catalog Number:
AA003HRF
Chemical Name:
2-Pentyl-2-cyclopenten-1-one
CAS Number:
25564-22-1
Molecular Formula:
C10H16O
Molecular Weight:
152.2334
MDL Number:
MFCD00036631
IUPAC Name:
2-pentylcyclopent-2-en-1-one
InChI:
InChI=1S/C10H16O/c1-2-3-4-6-9-7-5-8-10(9)11/h7H,2-6,8H2,1H3
InChI Key:
ILHZVKAXFCDFMT-UHFFFAOYSA-N
SMILES:
CCCCCC1=CCCC1=O
EC Number:
247-104-4
UNII:
1UOK9N9N72
Properties
Computed Properties
 
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.12g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.237g/mol
Monoisotopic Mass:
152.12g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Synonyms
 
2-Pentyl-2-cyclopenten-1-one 
25564-22-1 
2-pentyl-2-cyclopentenone 
1UOK9N9N72 
2-pentyl-cyclopent-2-en-1-one 
ILHZVKAXFCDFMT-UHFFFAOYSA-N 
DSSTox_CID_9331 
DSSTox_RID_78766 
DSSTox_GSID_29331 
CAS-25564-22-1 
ACMC-209gky 
AC1Q2VRL 
2-Cyclopenten-1-one, 2-pentyl- 
EC 247-104-4 
AC1L3L3N 
2-n-pentyl-2-cyclopentenone 
4-07-00-00195 (Beilstein Handbook Reference) 
2-Amyl 2-cyclopenten-1-one 
SCHEMBL357488 
CYC005 
CHEMBL3183509 
DTXSID6029331 
CTK3J5783 
2-Pentylcyclopent-2-en-1-one 
2-n-pentyl-cyclopent-2-en-1-one 
ZINC2077861 
Tox21_201738 
Tox21_303448 
ANW-25760 
BBL009816 
MFCD00036631 
STL145849 
AKOS000120813 
MCULE-2643922279 
2-Pentyl-2-Cyclopentene-1-One 
NCGC00249109-01 
NCGC00257294-01 
NCGC00259287-01 
CJ-32794 
LS-58373 
DB-049940 
RT-002698 
FT-0711591 
P1142 
ST51038223 
Amyl cyclopentenone 
I14-49250 
C10H16O 
C10-H16-O 
CID117549 
2 - pentylcyclopent - 2 - en - 1 - one 
2-pentylcyclopent-2-enone 
UNII-1UOK9N9N72 
BRN 1857975 
EINECS 247-104-4 
Literature
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