2-(1,3-dioxan-2-yl)ethyl-triphenylphosphanium

C24H26O2P+ — CID 2724169

IUPAC2-(1,3-dioxan-2-yl)ethyl-triphenylphosphanium
SMILESc1ccc([P+](CCC2OCCCO2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H26O2P/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/q+1
InChIKeyMQHXAEFTZWVNDN-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.13
Rot. Bonds6

About 2-(1,3-dioxan-2-yl)ethyl-triphenylphosphanium

2-(1,3-dioxan-2-yl)ethyl-triphenylphosphanium (PubChem CID 2724169) has the molecular formula C24H26O2P+ and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-(1,3-dioxan-2-yl)ethyl-triphenylphosphanium.

Molecular Properties

Compound Name2-(1,3-dioxan-2-yl)ethyl-triphenylphosphanium
PubChem CID2724169
Molecular FormulaC24H26O2P+
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-(1,3-dioxan-2-yl)ethyl-triphenylphosphanium
SMILESc1ccc([P+](CCC2OCCCO2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H26O2P/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/q+1
InChIKeyMQHXAEFTZWVNDN-UHFFFAOYSA-N
XLogP4.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxan-2-yl)ethyl-triphenylphosphanium?
The IUPAC name of 2-(1,3-dioxan-2-yl)ethyl-triphenylphosphanium (CID 2724169) is 2-(1,3-dioxan-2-yl)ethyl-triphenylphosphanium.
What is the SMILES notation for 2-(1,3-dioxan-2-yl)ethyl-triphenylphosphanium?
The canonical SMILES for 2-(1,3-dioxan-2-yl)ethyl-triphenylphosphanium is c1ccc([P+](CCC2OCCCO2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(1,3-dioxan-2-yl)ethyl-triphenylphosphanium?
The InChIKey is MQHXAEFTZWVNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2P/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/q+1.
What are the key properties of 2-(1,3-dioxan-2-yl)ethyl-triphenylphosphanium?
2-(1,3-dioxan-2-yl)ethyl-triphenylphosphanium has a molecular weight of 377.44 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxan-2-yl)ethyl-triphenylphosphanium is sourced from PubChem (CID 2724169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).