prop-2-ynyl dihydrogen phosphite

C3H5O3P — CID 21332965

IUPACprop-2-ynyl dihydrogen phosphite
SMILESC#CCOP(O)O
InChIInChI=1S/C3H5O3P/c1-2-3-6-7(4)5/h1,4-5H,3H2
InChIKeyJCQNHXXTOXSNJY-UHFFFAOYSA-N
MW120.04 g/mol
LogP-0.15
Rot. Bonds2

About prop-2-ynyl dihydrogen phosphite

prop-2-ynyl dihydrogen phosphite (PubChem CID 21332965) has the molecular formula C3H5O3P and a molecular weight of 120.04 g/mol. Its IUPAC name is prop-2-ynyl dihydrogen phosphite.

Molecular Properties

Compound Nameprop-2-ynyl dihydrogen phosphite
PubChem CID21332965
Molecular FormulaC3H5O3P
Molecular Weight120.04 g/mol
Exact Mass120.00
IUPAC Nameprop-2-ynyl dihydrogen phosphite
SMILESC#CCOP(O)O
InChIInChI=1S/C3H5O3P/c1-2-3-6-7(4)5/h1,4-5H,3H2
InChIKeyJCQNHXXTOXSNJY-UHFFFAOYSA-N
XLogP-0.15
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.04
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze prop-2-ynyl dihydrogen phosphite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl dihydrogen phosphite?
The IUPAC name of prop-2-ynyl dihydrogen phosphite (CID 21332965) is prop-2-ynyl dihydrogen phosphite.
What is the SMILES notation for prop-2-ynyl dihydrogen phosphite?
The canonical SMILES for prop-2-ynyl dihydrogen phosphite is C#CCOP(O)O.
What is the InChIKey of prop-2-ynyl dihydrogen phosphite?
The InChIKey is JCQNHXXTOXSNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5O3P/c1-2-3-6-7(4)5/h1,4-5H,3H2.
What are the key properties of prop-2-ynyl dihydrogen phosphite?
prop-2-ynyl dihydrogen phosphite has a molecular weight of 120.04 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl dihydrogen phosphite is sourced from PubChem (CID 21332965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).