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150086-27-4 | Benzene, 1,4-bis(decyloxy)-2,5-diethynyl-
CAS No: 150086-27-4 Catalog No: AG001MAA MDL No:
Product Description
Catalog Number:
AG001MAA
Chemical Name:
Benzene, 1,4-bis(decyloxy)-2,5-diethynyl-
CAS Number:
150086-27-4
Molecular Formula:
C30H46O2
Molecular Weight:
438.6850
IUPAC Name:
1,4-didecoxy-2,5-diethynylbenzene
InChI:
InChI=1S/C30H46O2/c1-5-9-11-13-15-17-19-21-23-31-29-25-28(8-4)30(26-27(29)7-3)32-24-22-20-18-16-14-12-10-6-2/h3-4,25-26H,5-6,9-24H2,1-2H3
InChI Key:
WQMOMTBWTISVBG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1cc(C#C)c(cc1C#C)OCCCCCCCCCC
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.35g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
438.696g/mol
Monoisotopic Mass:
438.35g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.4
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