2-[methyl(prop-2-enoxy)phosphoryl]oxypropane

C7H15O3P — CID 170850966

IUPAC2-[methyl(prop-2-enoxy)phosphoryl]oxypropane
SMILESC=CCOP(C)(=O)OC(C)C
InChIInChI=1S/C7H15O3P/c1-5-6-9-11(4,8)10-7(2)3/h5,7H,1,6H2,2-4H3
InChIKeyDBPDDPABFVJQFG-UHFFFAOYSA-N
MW178.17 g/mol
LogP2.44
Rot. Bonds5

About 2-[methyl(prop-2-enoxy)phosphoryl]oxypropane

2-[methyl(prop-2-enoxy)phosphoryl]oxypropane (PubChem CID 170850966) has the molecular formula C7H15O3P and a molecular weight of 178.17 g/mol. Its IUPAC name is 2-[methyl(prop-2-enoxy)phosphoryl]oxypropane.

Molecular Properties

Compound Name2-[methyl(prop-2-enoxy)phosphoryl]oxypropane
PubChem CID170850966
Molecular FormulaC7H15O3P
Molecular Weight178.17 g/mol
Exact Mass178.08
IUPAC Name2-[methyl(prop-2-enoxy)phosphoryl]oxypropane
SMILESC=CCOP(C)(=O)OC(C)C
InChIInChI=1S/C7H15O3P/c1-5-6-9-11(4,8)10-7(2)3/h5,7H,1,6H2,2-4H3
InChIKeyDBPDDPABFVJQFG-UHFFFAOYSA-N
XLogP2.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(prop-2-enoxy)phosphoryl]oxypropane?
The IUPAC name of 2-[methyl(prop-2-enoxy)phosphoryl]oxypropane (CID 170850966) is 2-[methyl(prop-2-enoxy)phosphoryl]oxypropane.
What is the SMILES notation for 2-[methyl(prop-2-enoxy)phosphoryl]oxypropane?
The canonical SMILES for 2-[methyl(prop-2-enoxy)phosphoryl]oxypropane is C=CCOP(C)(=O)OC(C)C.
What is the InChIKey of 2-[methyl(prop-2-enoxy)phosphoryl]oxypropane?
The InChIKey is DBPDDPABFVJQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O3P/c1-5-6-9-11(4,8)10-7(2)3/h5,7H,1,6H2,2-4H3.
What are the key properties of 2-[methyl(prop-2-enoxy)phosphoryl]oxypropane?
2-[methyl(prop-2-enoxy)phosphoryl]oxypropane has a molecular weight of 178.17 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(prop-2-enoxy)phosphoryl]oxypropane is sourced from PubChem (CID 170850966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).