1-[1-(1-phosphanyloxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxyphosphane

C9H22O4P2 — CID 59288664

IUPAC1-[1-(1-phosphanyloxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxyphosphane
SMILESCC(COC(C)COC(C)COP)OP
InChIInChI=1S/C9H22O4P2/c1-7(11-5-9(3)13-15)4-10-8(2)6-12-14/h7-9H,4-6,14-15H2,1-3H3
InChIKeyZMKCWIVLLPTJNL-UHFFFAOYSA-N
MW256.22 g/mol
LogP1.80
Rot. Bonds9

About 1-[1-(1-phosphanyloxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxyphosphane

1-[1-(1-phosphanyloxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxyphosphane (PubChem CID 59288664) has the molecular formula C9H22O4P2 and a molecular weight of 256.22 g/mol. Its IUPAC name is 1-[1-(1-phosphanyloxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxyphosphane.

Molecular Properties

Compound Name1-[1-(1-phosphanyloxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxyphosphane
PubChem CID59288664
Molecular FormulaC9H22O4P2
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name1-[1-(1-phosphanyloxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxyphosphane
SMILESCC(COC(C)COC(C)COP)OP
InChIInChI=1S/C9H22O4P2/c1-7(11-5-9(3)13-15)4-10-8(2)6-12-14/h7-9H,4-6,14-15H2,1-3H3
InChIKeyZMKCWIVLLPTJNL-UHFFFAOYSA-N
XLogP1.80
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[1-(1-phosphanyloxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxyphosphane?
The IUPAC name of 1-[1-(1-phosphanyloxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxyphosphane (CID 59288664) is 1-[1-(1-phosphanyloxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxyphosphane.
What is the SMILES notation for 1-[1-(1-phosphanyloxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxyphosphane?
The canonical SMILES for 1-[1-(1-phosphanyloxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxyphosphane is CC(COC(C)COC(C)COP)OP.
What is the InChIKey of 1-[1-(1-phosphanyloxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxyphosphane?
The InChIKey is ZMKCWIVLLPTJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O4P2/c1-7(11-5-9(3)13-15)4-10-8(2)6-12-14/h7-9H,4-6,14-15H2,1-3H3.
What are the key properties of 1-[1-(1-phosphanyloxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxyphosphane?
1-[1-(1-phosphanyloxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxyphosphane has a molecular weight of 256.22 g/mol, XLogP of 1.80, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-phosphanyloxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxyphosphane is sourced from PubChem (CID 59288664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).