Home Other Building Blocks 4-Pentyn-1-ol

4-Pentyn-1-ol

CAS No.:
5390-04-5
Catalog Number:
AG00344P
Molecular Formula:
C5H8O
Molecular Weight:
84.1164
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$25
- +
5g
98%
In Stock USA
United States
$63
- +
25g
98%
In Stock USA
United States
$244
- +
100g
98%
In Stock USA
United States
$725
- +
Product Description
Catalog Number:
AG00344P
Chemical Name:
4-Pentyn-1-ol
CAS Number:
5390-04-5
Molecular Formula:
C5H8O
Molecular Weight:
84.1164
MDL Number:
MFCD00002974
IUPAC Name:
pent-4-yn-1-ol
InChI:
InChI=1S/C5H8O/c1-2-3-4-5-6/h1,6H,3-5H2
InChI Key:
CRWVOXFUXPYTRK-UHFFFAOYSA-N
SMILES:
OCCCC#C
EC Number:
226-383-6
NSC Number:
5274
Properties
Complexity:
57.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
84.058g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
84.118g/mol
Monoisotopic Mass:
84.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
Identification of the sex pheromone of a protected species, the Spanish moon moth Graellsia isabellae. Journal of chemical ecology 20100901
1,1,3,3-Tetramethylguanidine solvated lanthanide aryloxides: pre-catalysts for intramolecular hydroalkoxylation. Dalton transactions (Cambridge, England : 2003) 20091221
Low-density lipoprotein has an enormous capacity to bind (E)-4-hydroxynon-2-enal (HNE): detection and characterization of lysyl and histidyl adducts containing multiple molecules of HNE. Chemical research in toxicology 20080721
Structural and conformational properties of 4-Pentyn-1-ol as studied by microwave spectroscopy and quantum chemical calculations. The journal of physical chemistry. A 20071122
Toward the synthesis of norzoanthamine: complete fragment assembly. The Journal of organic chemistry 20070622
Stereoselective synthesis, natural occurrence and CB(2) receptor binding affinities of alkylamides from herbal medicines such as Echinacea sp. Organic & biomolecular chemistry 20070107
[W(CO)5]-catalyzed endo- or exo-cycloisomerization reactions of 1,1-disubstituted 4-pentyn-1-ols: experimental and theoretical studies. Chemistry (Weinheim an der Bergstrasse, Germany) 20050919
Solvent-assisted new reaction pathways for the (THF)W(CO)5-promoted endo- and exo-cycloisomerization of 4-pentyn-1-ol: a theoretical investigation. Journal of the American Chemical Society 20050126
Synthesis, characterisation and molecular structure of Re(III) 2-oxacyclocarbenes stabilised by a benzoyldiazenido ligand. Dalton transactions (Cambridge, England : 2003) 20040307
Mechanism of ketone and alcohol formations from alkenes and alkynes on the head-to-head 2-pyridonato-bridged cis-diammineplatinum(III) dinuclear complex. Journal of the American Chemical Society 20030326
Computational studies of tungsten-catalyzed endo-selective cycloisomerization of 4-pentyn-1-ol. Journal of the American Chemical Society 20020417
Properties