Name: Name:4-Cyclopentyl-3-oxo-butyric acid ethyl ester
Brand: AABLOCKS
SKU: AA00IBPQ
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00IBPQ

Chemical Name: 4-Cyclopentyl-3-oxo-butyric acid ethyl ester

CAS Number: 68104-99-4

Molecular Formula: C11H18O3

Molecular Weight: 198.2588

MDL Number: MFCD03844431

SMILES: CCOC(=O)CC(=O)CC1CCCC1

Properties

Complexity: 205

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 14

Hydrogen Bond Acceptor Count: 3

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 6

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.5

Downstream Synthesis Route

68104-99-4

1122-98-1

[1]Jacquier;Christol[BulletindelaSocieteChimiquedeFrance,1957,p.600,606]Herz[JournaloftheAmericanChemicalSociety,1956,vol.78,p.1485,1491]

766-00-7

68104-99-4

[1]Cane;Thomas[JournaloftheAmericanChemicalSociety,1984,vol.106,#18,p.5295-5303]

68104-99-4 | 4-Cyclopentyl-3-oxo-butyric acid ethyl ester