oxolan-3-yloxyphosphane

C4H9O2P — CID 163403367

IUPACoxolan-3-yloxyphosphane
SMILESPOC1CCOC1
InChIInChI=1S/C4H9O2P/c7-6-4-1-2-5-3-4/h4H,1-3,7H2
InChIKeyHPLTWMIJJKGVNT-UHFFFAOYSA-N
MW120.09 g/mol
LogP0.58
Rot. Bonds1

About oxolan-3-yloxyphosphane

oxolan-3-yloxyphosphane (PubChem CID 163403367) has the molecular formula C4H9O2P and a molecular weight of 120.09 g/mol. Its IUPAC name is oxolan-3-yloxyphosphane.

Molecular Properties

Compound Nameoxolan-3-yloxyphosphane
PubChem CID163403367
Molecular FormulaC4H9O2P
Molecular Weight120.09 g/mol
Exact Mass120.03
IUPAC Nameoxolan-3-yloxyphosphane
SMILESPOC1CCOC1
InChIInChI=1S/C4H9O2P/c7-6-4-1-2-5-3-4/h4H,1-3,7H2
InChIKeyHPLTWMIJJKGVNT-UHFFFAOYSA-N
XLogP0.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.09
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yloxyphosphane?
The IUPAC name of oxolan-3-yloxyphosphane (CID 163403367) is oxolan-3-yloxyphosphane.
What is the SMILES notation for oxolan-3-yloxyphosphane?
The canonical SMILES for oxolan-3-yloxyphosphane is POC1CCOC1.
What is the InChIKey of oxolan-3-yloxyphosphane?
The InChIKey is HPLTWMIJJKGVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O2P/c7-6-4-1-2-5-3-4/h4H,1-3,7H2.
What are the key properties of oxolan-3-yloxyphosphane?
oxolan-3-yloxyphosphane has a molecular weight of 120.09 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yloxyphosphane is sourced from PubChem (CID 163403367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).