3-di(propan-2-yloxy)phosphorylpropyl-diphenylphosphane

C21H30O3P2 — CID 15770151

IUPAC3-di(propan-2-yloxy)phosphorylpropyl-diphenylphosphane
SMILESCC(C)OP(=O)(CCCP(c1ccccc1)c1ccccc1)OC(C)C
InChIInChI=1S/C21H30O3P2/c1-18(2)23-26(22,24-19(3)4)17-11-16-25(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-10,12-15,18-19H,11,16-17H2,1-4H3
InChIKeyCYFKTEOMDMGRAV-UHFFFAOYSA-N
MW392.42 g/mol
LogP5.55
Rot. Bonds10

About 3-di(propan-2-yloxy)phosphorylpropyl-diphenylphosphane

3-di(propan-2-yloxy)phosphorylpropyl-diphenylphosphane (PubChem CID 15770151) has the molecular formula C21H30O3P2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 3-di(propan-2-yloxy)phosphorylpropyl-diphenylphosphane.

Molecular Properties

Compound Name3-di(propan-2-yloxy)phosphorylpropyl-diphenylphosphane
PubChem CID15770151
Molecular FormulaC21H30O3P2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC Name3-di(propan-2-yloxy)phosphorylpropyl-diphenylphosphane
SMILESCC(C)OP(=O)(CCCP(c1ccccc1)c1ccccc1)OC(C)C
InChIInChI=1S/C21H30O3P2/c1-18(2)23-26(22,24-19(3)4)17-11-16-25(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-10,12-15,18-19H,11,16-17H2,1-4H3
InChIKeyCYFKTEOMDMGRAV-UHFFFAOYSA-N
XLogP5.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.42
LogP ≤ 55.55
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 3-di(propan-2-yloxy)phosphorylpropyl-diphenylphosphane?
The IUPAC name of 3-di(propan-2-yloxy)phosphorylpropyl-diphenylphosphane (CID 15770151) is 3-di(propan-2-yloxy)phosphorylpropyl-diphenylphosphane.
What is the SMILES notation for 3-di(propan-2-yloxy)phosphorylpropyl-diphenylphosphane?
The canonical SMILES for 3-di(propan-2-yloxy)phosphorylpropyl-diphenylphosphane is CC(C)OP(=O)(CCCP(c1ccccc1)c1ccccc1)OC(C)C.
What is the InChIKey of 3-di(propan-2-yloxy)phosphorylpropyl-diphenylphosphane?
The InChIKey is CYFKTEOMDMGRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30O3P2/c1-18(2)23-26(22,24-19(3)4)17-11-16-25(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-10,12-15,18-19H,11,16-17H2,1-4H3.
What are the key properties of 3-di(propan-2-yloxy)phosphorylpropyl-diphenylphosphane?
3-di(propan-2-yloxy)phosphorylpropyl-diphenylphosphane has a molecular weight of 392.42 g/mol, XLogP of 5.55, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-di(propan-2-yloxy)phosphorylpropyl-diphenylphosphane is sourced from PubChem (CID 15770151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).