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89762-84-5 | 4-Octyne-3,6-diol, 2,2,3,6,7,7-hexamethyl-
CAS No: 89762-84-5 Catalog No: AG003ZRK MDL No:
Product Description
Catalog Number:
AG003ZRK
Chemical Name:
4-Octyne-3,6-diol, 2,2,3,6,7,7-hexamethyl-
CAS Number:
89762-84-5
Molecular Formula:
C14H26O2
Molecular Weight:
226.3550
IUPAC Name:
2,2,3,6,7,7-hexamethyloct-4-yne-3,6-diol
InChI:
InChI=1S/C14H26O2/c1-11(2,3)13(7,15)9-10-14(8,16)12(4,5)6/h15-16H,1-8H3
InChI Key:
QDCJURCJXBBNBG-UHFFFAOYSA-N
SMILES:
CC(C(C)(C)C)(C#CC(C(C)(C)C)(O)C)O
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.193g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.36g/mol
Monoisotopic Mass:
226.193g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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