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Home > Other Building Blocks > 139087-85-7
139087-85-7 | 5-Decyne-4,7-diol, 4,7-diethyl-
CAS No: 139087-85-7 Catalog No: AG001A83 MDL No:
Product Description
Catalog Number:
AG001A83
Chemical Name:
5-Decyne-4,7-diol, 4,7-diethyl-
CAS Number:
139087-85-7
Molecular Formula:
C14H26O2
Molecular Weight:
226.3550
IUPAC Name:
4,7-diethyldec-5-yne-4,7-diol
InChI:
InChI=1S/C14H26O2/c1-5-9-13(15,7-3)11-12-14(16,8-4)10-6-2/h15-16H,5-10H2,1-4H3
InChI Key:
QDCRRFZUBJOGDW-UHFFFAOYSA-N
SMILES:
CCCC(C#CC(CCC)(CC)O)(CC)O
Properties
Complexity:
236
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:
8
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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