CAS 69891-92-5|[2-(1,3-dioxan-2-yl)ethyl]triphenylphosphanium bromide|[2-(1,3-Dioxan-2-yl)ethyl]triphenylphosphonium bromide|[2-(1,3-dioxan-2-yl)ethyl]triphenylphosphanium bromide|2-(1,3-二氧己环-2-...

General Information

Structure

Molecular Formula

C₂₄H₂₆BrO₂P

Molecular Mass

457.339801

Exact Mass

456.0853787

Charge

InChI

InChI=1S/C24H26O2P.BrH/c1-4-11-21(12-5-1)27(22-13-6-2-7-14-22,23-15-8-3-9-16-23)20-17-24-25-18-10-19-26-24;/h1-9,11-16,24H,10,17-20H2;1H/q+1;/p-1

InChIKey

XETDBHNHTOJWPZ-UHFFFAOYSA-M

Canonic Smiles

C1COC(OC1)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]

Isomeric Smiles

[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CCC1OCCCO1.[Br-]

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

5.018456

LogD (pH = 7.4)

5.018456

Log P

5.018456

Molar Refractivity

111.394

Polarizability

44.21339

Polar Surface Area

18.46

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Names and Identifiers

IUPAC name

[2-(1,3-dioxan-2-yl)ethyl]triphenylphosphanium bromide

IUPAC Traditional name

[2-(1,3-dioxan-2-yl)ethyl]triphenylphosphanium bromide

Synonyms

[2-(1,3-Dioxan-2-yl)ethyl]triphenylphosphonium bromide2-(1,3-二氧己环-2-基)乙基三苯基溴化膦2-(1,3-Dioxan-2-yl)ethyltriphenylphosphonium bromide(2-(1,3-Dioxan-2-yl)ethyl)triphenylphosphonium bromide[2-(1,3-Dioxan-2-yl)ethyl]triphenylphosphonium bromide[2-(1,3-二氧环-2-基)乙基]三苯基溴化膦

Names and Identifiers

Registration numbers

CAS Number

MDL Number

EC Number

Beilstein Number

PubChem SID

2486663324853138162039776