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81194-93-6 | (3-METHYL-2-BUTENYL)(6-((3-METHYL-2-BUTENYL)(DIPHENYL)PHOSPHORANYL)HEXYL)DIPHENYLPHOSPHORANE
CAS No: 81194-93-6 Catalog No: AG005FB3 MDL No:
Product Description
Catalog Number:
AG005FB3
Chemical Name:
(3-METHYL-2-BUTENYL)(6-((3-METHYL-2-BUTENYL)(DIPHENYL)PHOSPHORANYL)HEXYL)DIPHENYLPHOSPHORANE
CAS Number:
81194-93-6
Molecular Formula:
C40H50P2
Molecular Weight:
592.7725
IUPAC Name:
3-methylbut-2-enyl-[6-[3-methylbut-2-enyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium
InChI:
InChI=1S/C40H50P2/c1-35(2)29-33-41(37-21-11-7-12-22-37,38-23-13-8-14-24-38)31-19-5-6-20-32-42(34-30-36(3)4,39-25-15-9-16-26-39)40-27-17-10-18-28-40/h7-18,21-30H,5-6,19-20,31-34H2,1-4H3/q+2
InChI Key:
XORIGDZTECZZNH-UHFFFAOYSA-N
SMILES:
CC(=CCP(c1ccccc1)(c1ccccc1)CCCCCCP(c1ccccc1)(c1ccccc1)CC=C(C)C)C
Properties
Complexity:
688
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
592.339g/mol
Formal Charge:
2
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
592.788g/mol
Monoisotopic Mass:
592.339g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.3
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