1-dimethoxyphosphorylprop-2-yn-1-ol

C5H9O4P — CID 130122610

IUPAC1-dimethoxyphosphorylprop-2-yn-1-ol
SMILESC#CC(O)P(=O)(OC)OC
InChIInChI=1S/C5H9O4P/c1-4-5(6)10(7,8-2)9-3/h1,5-6H,2-3H3
InChIKeyCNMPOEJZUDWZSL-UHFFFAOYSA-N
MW164.10 g/mol
LogP0.42
Rot. Bonds3

About 1-dimethoxyphosphorylprop-2-yn-1-ol

1-dimethoxyphosphorylprop-2-yn-1-ol (PubChem CID 130122610) has the molecular formula C5H9O4P and a molecular weight of 164.10 g/mol. Its IUPAC name is 1-dimethoxyphosphorylprop-2-yn-1-ol.

Molecular Properties

Compound Name1-dimethoxyphosphorylprop-2-yn-1-ol
PubChem CID130122610
Molecular FormulaC5H9O4P
Molecular Weight164.10 g/mol
Exact Mass164.02
IUPAC Name1-dimethoxyphosphorylprop-2-yn-1-ol
SMILESC#CC(O)P(=O)(OC)OC
InChIInChI=1S/C5H9O4P/c1-4-5(6)10(7,8-2)9-3/h1,5-6H,2-3H3
InChIKeyCNMPOEJZUDWZSL-UHFFFAOYSA-N
XLogP0.42
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.10
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-dimethoxyphosphorylprop-2-yn-1-ol?
The IUPAC name of 1-dimethoxyphosphorylprop-2-yn-1-ol (CID 130122610) is 1-dimethoxyphosphorylprop-2-yn-1-ol.
What is the SMILES notation for 1-dimethoxyphosphorylprop-2-yn-1-ol?
The canonical SMILES for 1-dimethoxyphosphorylprop-2-yn-1-ol is C#CC(O)P(=O)(OC)OC.
What is the InChIKey of 1-dimethoxyphosphorylprop-2-yn-1-ol?
The InChIKey is CNMPOEJZUDWZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O4P/c1-4-5(6)10(7,8-2)9-3/h1,5-6H,2-3H3.
What are the key properties of 1-dimethoxyphosphorylprop-2-yn-1-ol?
1-dimethoxyphosphorylprop-2-yn-1-ol has a molecular weight of 164.10 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphorylprop-2-yn-1-ol is sourced from PubChem (CID 130122610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).