1-[2-[1-(2-phosphanyloxypropoxy)propan-2-yloxy]propoxy]propan-2-yloxyphosphane

C12H28O5P2 — CID 59288665

IUPAC1-[2-[1-(2-phosphanyloxypropoxy)propan-2-yloxy]propoxy]propan-2-yloxyphosphane
SMILESCC(COCC(C)OC(C)COCC(C)OP)OP
InChIInChI=1S/C12H28O5P2/c1-9(5-13-7-11(3)16-18)15-10(2)6-14-8-12(4)17-19/h9-12H,5-8,18-19H2,1-4H3
InChIKeyBHFDFXVXCASXBX-UHFFFAOYSA-N
MW314.30 g/mol
LogP2.20
Rot. Bonds12

About 1-[2-[1-(2-phosphanyloxypropoxy)propan-2-yloxy]propoxy]propan-2-yloxyphosphane

1-[2-[1-(2-phosphanyloxypropoxy)propan-2-yloxy]propoxy]propan-2-yloxyphosphane (PubChem CID 59288665) has the molecular formula C12H28O5P2 and a molecular weight of 314.30 g/mol. Its IUPAC name is 1-[2-[1-(2-phosphanyloxypropoxy)propan-2-yloxy]propoxy]propan-2-yloxyphosphane.

Molecular Properties

Compound Name1-[2-[1-(2-phosphanyloxypropoxy)propan-2-yloxy]propoxy]propan-2-yloxyphosphane
PubChem CID59288665
Molecular FormulaC12H28O5P2
Molecular Weight314.30 g/mol
Exact Mass314.14
IUPAC Name1-[2-[1-(2-phosphanyloxypropoxy)propan-2-yloxy]propoxy]propan-2-yloxyphosphane
SMILESCC(COCC(C)OC(C)COCC(C)OP)OP
InChIInChI=1S/C12H28O5P2/c1-9(5-13-7-11(3)16-18)15-10(2)6-14-8-12(4)17-19/h9-12H,5-8,18-19H2,1-4H3
InChIKeyBHFDFXVXCASXBX-UHFFFAOYSA-N
XLogP2.20
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2-phosphanyloxypropoxy)propan-2-yloxy]propoxy]propan-2-yloxyphosphane?
The IUPAC name of 1-[2-[1-(2-phosphanyloxypropoxy)propan-2-yloxy]propoxy]propan-2-yloxyphosphane (CID 59288665) is 1-[2-[1-(2-phosphanyloxypropoxy)propan-2-yloxy]propoxy]propan-2-yloxyphosphane.
What is the SMILES notation for 1-[2-[1-(2-phosphanyloxypropoxy)propan-2-yloxy]propoxy]propan-2-yloxyphosphane?
The canonical SMILES for 1-[2-[1-(2-phosphanyloxypropoxy)propan-2-yloxy]propoxy]propan-2-yloxyphosphane is CC(COCC(C)OC(C)COCC(C)OP)OP.
What is the InChIKey of 1-[2-[1-(2-phosphanyloxypropoxy)propan-2-yloxy]propoxy]propan-2-yloxyphosphane?
The InChIKey is BHFDFXVXCASXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O5P2/c1-9(5-13-7-11(3)16-18)15-10(2)6-14-8-12(4)17-19/h9-12H,5-8,18-19H2,1-4H3.
What are the key properties of 1-[2-[1-(2-phosphanyloxypropoxy)propan-2-yloxy]propoxy]propan-2-yloxyphosphane?
1-[2-[1-(2-phosphanyloxypropoxy)propan-2-yloxy]propoxy]propan-2-yloxyphosphane has a molecular weight of 314.30 g/mol, XLogP of 2.20, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2-phosphanyloxypropoxy)propan-2-yloxy]propoxy]propan-2-yloxyphosphane is sourced from PubChem (CID 59288665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).