2-(1,3-dioxan-2-yl)ethyl-hydroxy-triphenyl-λ5-phosphane

C24H27O3P — CID 139665210

IUPAC2-(1,3-dioxan-2-yl)ethyl-hydroxy-triphenyl-λ5-phosphane
SMILESOP(CCC1OCCCO1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27O3P/c25-28(21-11-4-1-5-12-21,22-13-6-2-7-14-22,23-15-8-3-9-16-23)20-17-24-26-18-10-19-27-24/h1-9,11-16,24-25H,10,17-20H2
InChIKeyPSYLDUPXCDDSOK-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.58
Rot. Bonds6

About 2-(1,3-dioxan-2-yl)ethyl-hydroxy-triphenyl-λ5-phosphane

2-(1,3-dioxan-2-yl)ethyl-hydroxy-triphenyl-λ5-phosphane (PubChem CID 139665210) has the molecular formula C24H27O3P and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-(1,3-dioxan-2-yl)ethyl-hydroxy-triphenyl-λ5-phosphane.

Molecular Properties

Compound Name2-(1,3-dioxan-2-yl)ethyl-hydroxy-triphenyl-λ5-phosphane
PubChem CID139665210
Molecular FormulaC24H27O3P
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC Name2-(1,3-dioxan-2-yl)ethyl-hydroxy-triphenyl-λ5-phosphane
SMILESOP(CCC1OCCCO1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27O3P/c25-28(21-11-4-1-5-12-21,22-13-6-2-7-14-22,23-15-8-3-9-16-23)20-17-24-26-18-10-19-27-24/h1-9,11-16,24-25H,10,17-20H2
InChIKeyPSYLDUPXCDDSOK-UHFFFAOYSA-N
XLogP3.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-hydroxy-triphenyl-λ5-phosphane?
The IUPAC name of 2-(1,3-dioxan-2-yl)ethyl-hydroxy-triphenyl-λ5-phosphane (CID 139665210) is 2-(1,3-dioxan-2-yl)ethyl-hydroxy-triphenyl-λ5-phosphane.
What is the SMILES notation for 2-(1,3-dioxan-2-yl)ethyl-hydroxy-triphenyl-λ5-phosphane?
The canonical SMILES for 2-(1,3-dioxan-2-yl)ethyl-hydroxy-triphenyl-λ5-phosphane is OP(CCC1OCCCO1)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1,3-dioxan-2-yl)ethyl-hydroxy-triphenyl-λ5-phosphane?
The InChIKey is PSYLDUPXCDDSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27O3P/c25-28(21-11-4-1-5-12-21,22-13-6-2-7-14-22,23-15-8-3-9-16-23)20-17-24-26-18-10-19-27-24/h1-9,11-16,24-25H,10,17-20H2.
What are the key properties of 2-(1,3-dioxan-2-yl)ethyl-hydroxy-triphenyl-λ5-phosphane?
2-(1,3-dioxan-2-yl)ethyl-hydroxy-triphenyl-λ5-phosphane has a molecular weight of 394.45 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxan-2-yl)ethyl-hydroxy-triphenyl-λ5-phosphane is sourced from PubChem (CID 139665210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).