2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl-triphenylphosphanium bromide

C25H28BrO2P — CID 11059758

IUPAC2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl-triphenylphosphanium bromide
SMILESCC1(C)OC[C@@H](CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)O1.[Br-]
InChIInChI=1S/C25H28O2P.BrH/c1-25(2)26-20-21(27-25)18-19-28(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24;/h3-17,21H,18-20H2,1-2H3;1H/q+1;/p-1/t21-;/m1./s1
InChIKeyWMOUFJBFBMKEKV-ZMBIFBSDSA-M
MW471.38 g/mol
LogP1.53
Rot. Bonds6

About 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl-triphenylphosphanium bromide

2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl-triphenylphosphanium bromide (PubChem CID 11059758) has the molecular formula C25H28BrO2P and a molecular weight of 471.38 g/mol. Its IUPAC name is 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl-triphenylphosphanium bromide.

Molecular Properties

Compound Name2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl-triphenylphosphanium bromide
PubChem CID11059758
Molecular FormulaC25H28BrO2P
Molecular Weight471.38 g/mol
Exact Mass470.10
IUPAC Name2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl-triphenylphosphanium bromide
SMILESCC1(C)OC[C@@H](CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)O1.[Br-]
InChIInChI=1S/C25H28O2P.BrH/c1-25(2)26-20-21(27-25)18-19-28(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24;/h3-17,21H,18-20H2,1-2H3;1H/q+1;/p-1/t21-;/m1./s1
InChIKeyWMOUFJBFBMKEKV-ZMBIFBSDSA-M
XLogP1.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.38
LogP ≤ 51.53
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-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl-triphenylphosphanium bromide?
The IUPAC name of 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl-triphenylphosphanium bromide (CID 11059758) is 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl-triphenylphosphanium bromide.
What is the SMILES notation for 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl-triphenylphosphanium bromide?
The canonical SMILES for 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl-triphenylphosphanium bromide is CC1(C)OC[C@@H](CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)O1.[Br-].
What is the InChIKey of 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl-triphenylphosphanium bromide?
The InChIKey is WMOUFJBFBMKEKV-ZMBIFBSDSA-M. The full InChI is InChI=1S/C25H28O2P.BrH/c1-25(2)26-20-21(27-25)18-19-28(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24;/h3-17,21H,18-20H2,1-2H3;1H/q+1;/p-1/t21-;/m1./s1.
What are the key properties of 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl-triphenylphosphanium bromide?
2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl-triphenylphosphanium bromide has a molecular weight of 471.38 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl-triphenylphosphanium bromide is sourced from PubChem (CID 11059758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).