3-[ethoxy(methyl)phosphoryl]oxyprop-1-yne

C6H11O3P — CID 13201875

IUPAC3-[ethoxy(methyl)phosphoryl]oxyprop-1-yne
SMILESC#CCOP(C)(=O)OCC
InChIInChI=1S/C6H11O3P/c1-4-6-9-10(3,7)8-5-2/h1H,5-6H2,2-3H3
InChIKeyJQVRQUZQUSCSAM-UHFFFAOYSA-N
MW162.12 g/mol
LogP1.50
Rot. Bonds4

About 3-[ethoxy(methyl)phosphoryl]oxyprop-1-yne

3-[ethoxy(methyl)phosphoryl]oxyprop-1-yne (PubChem CID 13201875) has the molecular formula C6H11O3P and a molecular weight of 162.12 g/mol. Its IUPAC name is 3-[ethoxy(methyl)phosphoryl]oxyprop-1-yne.

Molecular Properties

Compound Name3-[ethoxy(methyl)phosphoryl]oxyprop-1-yne
PubChem CID13201875
Molecular FormulaC6H11O3P
Molecular Weight162.12 g/mol
Exact Mass162.04
IUPAC Name3-[ethoxy(methyl)phosphoryl]oxyprop-1-yne
SMILESC#CCOP(C)(=O)OCC
InChIInChI=1S/C6H11O3P/c1-4-6-9-10(3,7)8-5-2/h1H,5-6H2,2-3H3
InChIKeyJQVRQUZQUSCSAM-UHFFFAOYSA-N
XLogP1.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.12
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[ethoxy(methyl)phosphoryl]oxyprop-1-yne?
The IUPAC name of 3-[ethoxy(methyl)phosphoryl]oxyprop-1-yne (CID 13201875) is 3-[ethoxy(methyl)phosphoryl]oxyprop-1-yne.
What is the SMILES notation for 3-[ethoxy(methyl)phosphoryl]oxyprop-1-yne?
The canonical SMILES for 3-[ethoxy(methyl)phosphoryl]oxyprop-1-yne is C#CCOP(C)(=O)OCC.
What is the InChIKey of 3-[ethoxy(methyl)phosphoryl]oxyprop-1-yne?
The InChIKey is JQVRQUZQUSCSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O3P/c1-4-6-9-10(3,7)8-5-2/h1H,5-6H2,2-3H3.
What are the key properties of 3-[ethoxy(methyl)phosphoryl]oxyprop-1-yne?
3-[ethoxy(methyl)phosphoryl]oxyprop-1-yne has a molecular weight of 162.12 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethoxy(methyl)phosphoryl]oxyprop-1-yne is sourced from PubChem (CID 13201875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).