1,2-Bis(octyloxy)benzene - CAS 4956-41-6

Catalog:	BB026733
Product Name:	1,2-Bis(octyloxy)benzene
CAS:	4956-41-6
Synonyms:	1,2-dioctoxybenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	1,2-dioctoxybenzene
Description:	1,2-Bis(octyloxy)benzene (CAS# 4956-41-6 ) is a useful research chemical.
Molecular Weight:	334.54
Molecular Formula:	C22H38O2
Canonical SMILES:	CCCCCCCCOC1=CC=CC=C1OCCCCCCCC
InChI:	InChI=1S/C22H38O2/c1-3-5-7-9-11-15-19-23-21-17-13-14-18-22(21)24-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3
InChI Key:	FNLUIKNPCILERZ-UHFFFAOYSA-N
Boiling Point:	332-333 °C (lit.)
Density:	0.904 g/mL at 25 °C(lit.)
MDL:	MFCD00216908
LogP:	7.16520

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Complexity:	228
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	334.287180451
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	334.287180451
Rotatable Bond Count:	16
Topological Polar Surface Area:	18.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	8.5