3-[methyl(prop-2-ynoxy)phosphoryl]oxyprop-1-yne

C7H9O3P — CID 13201881

IUPAC3-[methyl(prop-2-ynoxy)phosphoryl]oxyprop-1-yne
SMILESC#CCOP(C)(=O)OCC#C
InChIInChI=1S/C7H9O3P/c1-4-6-9-11(3,8)10-7-5-2/h1-2H,6-7H2,3H3
InChIKeyQYFPVQVOQJVLOX-UHFFFAOYSA-N
MW172.12 g/mol
LogP1.11
Rot. Bonds4

About 3-[methyl(prop-2-ynoxy)phosphoryl]oxyprop-1-yne

3-[methyl(prop-2-ynoxy)phosphoryl]oxyprop-1-yne (PubChem CID 13201881) has the molecular formula C7H9O3P and a molecular weight of 172.12 g/mol. Its IUPAC name is 3-[methyl(prop-2-ynoxy)phosphoryl]oxyprop-1-yne.

Molecular Properties

Compound Name3-[methyl(prop-2-ynoxy)phosphoryl]oxyprop-1-yne
PubChem CID13201881
Molecular FormulaC7H9O3P
Molecular Weight172.12 g/mol
Exact Mass172.03
IUPAC Name3-[methyl(prop-2-ynoxy)phosphoryl]oxyprop-1-yne
SMILESC#CCOP(C)(=O)OCC#C
InChIInChI=1S/C7H9O3P/c1-4-6-9-11(3,8)10-7-5-2/h1-2H,6-7H2,3H3
InChIKeyQYFPVQVOQJVLOX-UHFFFAOYSA-N
XLogP1.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.12
LogP ≤ 51.11
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-[methyl(prop-2-ynoxy)phosphoryl]oxyprop-1-yne?
The IUPAC name of 3-[methyl(prop-2-ynoxy)phosphoryl]oxyprop-1-yne (CID 13201881) is 3-[methyl(prop-2-ynoxy)phosphoryl]oxyprop-1-yne.
What is the SMILES notation for 3-[methyl(prop-2-ynoxy)phosphoryl]oxyprop-1-yne?
The canonical SMILES for 3-[methyl(prop-2-ynoxy)phosphoryl]oxyprop-1-yne is C#CCOP(C)(=O)OCC#C.
What is the InChIKey of 3-[methyl(prop-2-ynoxy)phosphoryl]oxyprop-1-yne?
The InChIKey is QYFPVQVOQJVLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O3P/c1-4-6-9-11(3,8)10-7-5-2/h1-2H,6-7H2,3H3.
What are the key properties of 3-[methyl(prop-2-ynoxy)phosphoryl]oxyprop-1-yne?
3-[methyl(prop-2-ynoxy)phosphoryl]oxyprop-1-yne has a molecular weight of 172.12 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(prop-2-ynoxy)phosphoryl]oxyprop-1-yne is sourced from PubChem (CID 13201881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).