Home Carboxys Ethyl (1S,5R,6S)-5-(pentan-3-yl-oxy)-7-oxa-bicyclo[4.1.0]hept-3-ene-3-carboxylate

Ethyl (1S,5R,6S)-5-(pentan-3-yl-oxy)-7-oxa-bicyclo[4.1.0]hept-3-ene-3-carboxylate

CAS No.:
204254-96-6
Catalog Number:
AG0029D8
Molecular Formula:
C14H22O4
Molecular Weight:
254.3221
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
500mg
98%(GC)
In Stock USA
United States
$123
- +
1g
98%(GC)
In Stock USA
United States
$186
- +
2g
98%(GC)
In Stock USA
United States
$311
- +
5g
98%(GC)
In Stock USA
United States
$707
- +
10g
98%(GC)
In Stock USA
United States
$1353
- +
Product Description
Catalog Number:
AG0029D8
Chemical Name:
Ethyl (1S,5R,6S)-5-(pentan-3-yl-oxy)-7-oxa-bicyclo[4.1.0]hept-3-ene-3-carboxylate
CAS Number:
204254-96-6
Molecular Formula:
C14H22O4
Molecular Weight:
254.3221
MDL Number:
MFCD08063944
IUPAC Name:
ethyl (1S,5R,6S)-5-pentan-3-yloxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
InChI:
InChI=1S/C14H22O4/c1-4-10(5-2)17-11-7-9(14(15)16-6-3)8-12-13(11)18-12/h7,10-13H,4-6,8H2,1-3H3/t11-,12+,13-/m1/s1
InChI Key:
XZXCGRFGEVXWIT-FRRDWIJNSA-N
SMILES:
CCOC(=O)C1=C[C@H]([C@@H]2[C@H](C1)O2)OC(CC)CC
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
254.152g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.326g/mol
Monoisotopic Mass:
254.152g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties