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88057-37-8 | 1,4,7-Decatriyne, 9-methoxy-3,3,6,6,9-pentamethyl-
CAS No: 88057-37-8 Catalog No: AG004FGI MDL No:
Product Description
Catalog Number:
AG004FGI
Chemical Name:
1,4,7-Decatriyne, 9-methoxy-3,3,6,6,9-pentamethyl-
CAS Number:
88057-37-8
Molecular Formula:
C16H22O
Molecular Weight:
230.3453
IUPAC Name:
9-methoxy-3,3,6,6,9-pentamethyldeca-1,4,7-triyne
InChI:
InChI=1S/C16H22O/c1-9-14(2,3)10-11-15(4,5)12-13-16(6,7)17-8/h1H,2-8H3
InChI Key:
JYSUTXSEGYRFKI-UHFFFAOYSA-N
SMILES:
COC(C#CC(C#CC(C#C)(C)C)(C)C)(C)C
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.167g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.351g/mol
Monoisotopic Mass:
230.167g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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