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89487-32-1

89487-32-1 | Pentalene, 2,5-bis[3-(1-ethoxyethoxy)-1-propynyl]-1,3a,4,6a-tetrahydro-

CAS No: 89487-32-1 Catalog No: AG0041WI MDL No:

Product Description

Catalog Number:
AG0041WI
Chemical Name:
Pentalene, 2,5-bis[3-(1-ethoxyethoxy)-1-propynyl]-1,3a,4,6a-tetrahydro-
CAS Number:
89487-32-1
Molecular Formula:
C22H30O4
Molecular Weight:
358.4712
IUPAC Name:
2,5-bis[3-(1-ethoxyethoxy)prop-1-ynyl]-1,3a,4,6a-tetrahydropentalene
InChI:
InChI=1S/C22H30O4/c1-5-23-17(3)25-11-7-9-19-13-21-15-20(16-22(21)14-19)10-8-12-26-18(4)24-6-2/h13,16-18,21-22H,5-6,11-12,14-15H2,1-4H3
InChI Key:
GBVRCCXVXKXPCG-UHFFFAOYSA-N
SMILES:
CCOC(OCC#CC1=CC2C(C1)C=C(C2)C#CCOC(OCC)C)C

Properties

Complexity:
591  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.214g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.478g/mol
Monoisotopic Mass:
358.214g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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