2-(3-diphenylphosphorylpropyl)-2-methyl-1,3-dioxolane

C19H23O3P — CID 13109384

IUPAC2-(3-diphenylphosphorylpropyl)-2-methyl-1,3-dioxolane
SMILESCC1(CCCP(=O)(c2ccccc2)c2ccccc2)OCCO1
InChIInChI=1S/C19H23O3P/c1-19(21-14-15-22-19)13-8-16-23(20,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12H,8,13-16H2,1H3
InChIKeyDIUVTXHKHHESGN-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.54
Rot. Bonds6

About 2-(3-diphenylphosphorylpropyl)-2-methyl-1,3-dioxolane

2-(3-diphenylphosphorylpropyl)-2-methyl-1,3-dioxolane (PubChem CID 13109384) has the molecular formula C19H23O3P and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-(3-diphenylphosphorylpropyl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(3-diphenylphosphorylpropyl)-2-methyl-1,3-dioxolane
PubChem CID13109384
Molecular FormulaC19H23O3P
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name2-(3-diphenylphosphorylpropyl)-2-methyl-1,3-dioxolane
SMILESCC1(CCCP(=O)(c2ccccc2)c2ccccc2)OCCO1
InChIInChI=1S/C19H23O3P/c1-19(21-14-15-22-19)13-8-16-23(20,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12H,8,13-16H2,1H3
InChIKeyDIUVTXHKHHESGN-UHFFFAOYSA-N
XLogP3.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.54
H-Bond Donors ≤ 50
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-(3-diphenylphosphorylpropyl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(3-diphenylphosphorylpropyl)-2-methyl-1,3-dioxolane (CID 13109384) is 2-(3-diphenylphosphorylpropyl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(3-diphenylphosphorylpropyl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(3-diphenylphosphorylpropyl)-2-methyl-1,3-dioxolane is CC1(CCCP(=O)(c2ccccc2)c2ccccc2)OCCO1.
What is the InChIKey of 2-(3-diphenylphosphorylpropyl)-2-methyl-1,3-dioxolane?
The InChIKey is DIUVTXHKHHESGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23O3P/c1-19(21-14-15-22-19)13-8-16-23(20,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12H,8,13-16H2,1H3.
What are the key properties of 2-(3-diphenylphosphorylpropyl)-2-methyl-1,3-dioxolane?
2-(3-diphenylphosphorylpropyl)-2-methyl-1,3-dioxolane has a molecular weight of 330.36 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-diphenylphosphorylpropyl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 13109384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).