Home Other Building Blocks 2-Methyl-2-cyclopentenone

2-Methyl-2-cyclopentenone

CAS No.:
1120-73-6
Catalog Number:
AG0033DY
Molecular Formula:
C6H8O
Molecular Weight:
96.1271
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Product Description
Catalog Number:
AG0033DY
Chemical Name:
2-Methyl-2-cyclopentenone
CAS Number:
1120-73-6
Molecular Formula:
C6H8O
Molecular Weight:
96.1271
MDL Number:
MFCD00012275
IUPAC Name:
2-methylcyclopent-2-en-1-one
InChI:
InChI=1S/C6H8O/c1-5-3-2-4-6(5)7/h3H,2,4H2,1H3
InChI Key:
ZSBWUNDRDHVNJL-UHFFFAOYSA-N
SMILES:
O=C1CCC=C1C
UNII:
N5S7BLT3Q9
Properties
Complexity:
122  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.058g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.129g/mol
Monoisotopic Mass:
96.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Structure elucidation of the diagnostic product ion at m/z 97 derived from androst-4-en-3-one-based steroids by ESI-CID and IRMPD spectroscopy. Journal of the American Society for Mass Spectrometry 20120301
Synthetic studies on dicyclopenta[a,d]cyclooctane terpenoids: construction of the core structure of fusicoccins and ophiobolins on the route involving a Wagner-Meerwein rearrangement. The Journal of organic chemistry 20110916
Construction of the tricyclic 5-7-6 scaffold of fungi-derived diterpenoids. Total synthesis of (±)-heptemerone G and an approach to Danishefsky's intermediate for guanacastepene A synthesis. The Journal of organic chemistry 20101217
Intramolecular cyclopropene-furan [2 + 4] cycloaddition followed by a cyclopropylcarbinyl rearrangement to synthesize the BCD rings of cortistatin A. Organic letters 20090903
Molecular turnover time of soil organic matter in particle-size fractions of an arable soil. Rapid communications in mass spectrometry : RCM 20090830
Origins of selectivity for the [2+2] cycloaddition of alpha,beta-unsaturated ketones within a porous self-assembled organic framework. Journal of the American Chemical Society 20080116
Multivariate statistics of the pyrolysis products of high molecular components in pulping wastewaters to explain their toxicity. Environmental science and pollution research international 20051101
Total synthesis of (+)-4,5-deoxyneodolabelline. Journal of the American Chemical Society 20030219
Properties