1-ethoxypropan-2-ylphosphane

C5H13OP — CID 89068231

IUPAC1-ethoxypropan-2-ylphosphane
SMILESCCOCC(C)P
InChIInChI=1S/C5H13OP/c1-3-6-4-5(2)7/h5H,3-4,7H2,1-2H3
InChIKeyYNKOYZROYLURAI-UHFFFAOYSA-N
MW120.13 g/mol
LogP1.29
Rot. Bonds3

About 1-ethoxypropan-2-ylphosphane

1-ethoxypropan-2-ylphosphane (PubChem CID 89068231) has the molecular formula C5H13OP and a molecular weight of 120.13 g/mol. Its IUPAC name is 1-ethoxypropan-2-ylphosphane.

Molecular Properties

Compound Name1-ethoxypropan-2-ylphosphane
PubChem CID89068231
Molecular FormulaC5H13OP
Molecular Weight120.13 g/mol
Exact Mass120.07
IUPAC Name1-ethoxypropan-2-ylphosphane
SMILESCCOCC(C)P
InChIInChI=1S/C5H13OP/c1-3-6-4-5(2)7/h5H,3-4,7H2,1-2H3
InChIKeyYNKOYZROYLURAI-UHFFFAOYSA-N
XLogP1.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.13
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-ethoxypropan-2-ylphosphane?
The IUPAC name of 1-ethoxypropan-2-ylphosphane (CID 89068231) is 1-ethoxypropan-2-ylphosphane.
What is the SMILES notation for 1-ethoxypropan-2-ylphosphane?
The canonical SMILES for 1-ethoxypropan-2-ylphosphane is CCOCC(C)P.
What is the InChIKey of 1-ethoxypropan-2-ylphosphane?
The InChIKey is YNKOYZROYLURAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13OP/c1-3-6-4-5(2)7/h5H,3-4,7H2,1-2H3.
What are the key properties of 1-ethoxypropan-2-ylphosphane?
1-ethoxypropan-2-ylphosphane has a molecular weight of 120.13 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-ylphosphane is sourced from PubChem (CID 89068231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).