2-propan-2-yloxyphosphonoyloxypropane

C6H15O3P — CID 3072

IUPAC2-propan-2-yloxyphosphonoyloxypropane
SMILESCC(C)O[PH](=O)OC(C)C
InChIInChI=1S/C6H15O3P/c1-5(2)8-10(7)9-6(3)4/h5-6,10H,1-4H3
InChIKeyBLKXLEPPVDUHBY-UHFFFAOYSA-N
MW166.16 g/mol
LogP2.23
Rot. Bonds4

About 2-propan-2-yloxyphosphonoyloxypropane

2-propan-2-yloxyphosphonoyloxypropane (PubChem CID 3072) has the molecular formula C6H15O3P and a molecular weight of 166.16 g/mol. Its IUPAC name is 2-propan-2-yloxyphosphonoyloxypropane.

Molecular Properties

Compound Name2-propan-2-yloxyphosphonoyloxypropane
PubChem CID3072
Molecular FormulaC6H15O3P
Molecular Weight166.16 g/mol
Exact Mass166.08
IUPAC Name2-propan-2-yloxyphosphonoyloxypropane
SMILESCC(C)O[PH](=O)OC(C)C
InChIInChI=1S/C6H15O3P/c1-5(2)8-10(7)9-6(3)4/h5-6,10H,1-4H3
InChIKeyBLKXLEPPVDUHBY-UHFFFAOYSA-N
XLogP2.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 52.23
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-propan-2-yloxyphosphonoyloxypropane?
The IUPAC name of 2-propan-2-yloxyphosphonoyloxypropane (CID 3072) is 2-propan-2-yloxyphosphonoyloxypropane.
What is the SMILES notation for 2-propan-2-yloxyphosphonoyloxypropane?
The canonical SMILES for 2-propan-2-yloxyphosphonoyloxypropane is CC(C)O[PH](=O)OC(C)C.
What is the InChIKey of 2-propan-2-yloxyphosphonoyloxypropane?
The InChIKey is BLKXLEPPVDUHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O3P/c1-5(2)8-10(7)9-6(3)4/h5-6,10H,1-4H3.
What are the key properties of 2-propan-2-yloxyphosphonoyloxypropane?
2-propan-2-yloxyphosphonoyloxypropane has a molecular weight of 166.16 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyphosphonoyloxypropane is sourced from PubChem (CID 3072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).