1-bis(prop-2-enoxy)phosphorylpropane

C9H17O3P — CID 3056462

IUPAC1-bis(prop-2-enoxy)phosphorylpropane
SMILESC=CCOP(=O)(CCC)OCC=C
InChIInChI=1S/C9H17O3P/c1-4-7-11-13(10,9-6-3)12-8-5-2/h4-5H,1-2,6-9H2,3H3
InChIKeyMIDYLAHQPJPQIV-UHFFFAOYSA-N
MW204.21 g/mol
LogP2.99
Rot. Bonds8

About 1-bis(prop-2-enoxy)phosphorylpropane

1-bis(prop-2-enoxy)phosphorylpropane (PubChem CID 3056462) has the molecular formula C9H17O3P and a molecular weight of 204.21 g/mol. Its IUPAC name is 1-bis(prop-2-enoxy)phosphorylpropane.

Molecular Properties

Compound Name1-bis(prop-2-enoxy)phosphorylpropane
PubChem CID3056462
Molecular FormulaC9H17O3P
Molecular Weight204.21 g/mol
Exact Mass204.09
IUPAC Name1-bis(prop-2-enoxy)phosphorylpropane
SMILESC=CCOP(=O)(CCC)OCC=C
InChIInChI=1S/C9H17O3P/c1-4-7-11-13(10,9-6-3)12-8-5-2/h4-5H,1-2,6-9H2,3H3
InChIKeyMIDYLAHQPJPQIV-UHFFFAOYSA-N
XLogP2.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 52.99
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'}

Analyze 1-bis(prop-2-enoxy)phosphorylpropane 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 1-bis(prop-2-enoxy)phosphorylpropane?
The IUPAC name of 1-bis(prop-2-enoxy)phosphorylpropane (CID 3056462) is 1-bis(prop-2-enoxy)phosphorylpropane.
What is the SMILES notation for 1-bis(prop-2-enoxy)phosphorylpropane?
The canonical SMILES for 1-bis(prop-2-enoxy)phosphorylpropane is C=CCOP(=O)(CCC)OCC=C.
What is the InChIKey of 1-bis(prop-2-enoxy)phosphorylpropane?
The InChIKey is MIDYLAHQPJPQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O3P/c1-4-7-11-13(10,9-6-3)12-8-5-2/h4-5H,1-2,6-9H2,3H3.
What are the key properties of 1-bis(prop-2-enoxy)phosphorylpropane?
1-bis(prop-2-enoxy)phosphorylpropane has a molecular weight of 204.21 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis(prop-2-enoxy)phosphorylpropane is sourced from PubChem (CID 3056462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).