1-[prop-2-enyl(propoxy)phosphoryl]oxypropane

C9H19O3P — CID 12844418

IUPAC1-[prop-2-enyl(propoxy)phosphoryl]oxypropane
SMILESC=CCP(=O)(OCCC)OCCC
InChIInChI=1S/C9H19O3P/c1-4-7-11-13(10,9-6-3)12-8-5-2/h6H,3-5,7-9H2,1-2H3
InChIKeyOOXBRJQYWGFNJB-UHFFFAOYSA-N
MW206.22 g/mol
LogP3.22
Rot. Bonds8

About 1-[prop-2-enyl(propoxy)phosphoryl]oxypropane

1-[prop-2-enyl(propoxy)phosphoryl]oxypropane (PubChem CID 12844418) has the molecular formula C9H19O3P and a molecular weight of 206.22 g/mol. Its IUPAC name is 1-[prop-2-enyl(propoxy)phosphoryl]oxypropane.

Molecular Properties

Compound Name1-[prop-2-enyl(propoxy)phosphoryl]oxypropane
PubChem CID12844418
Molecular FormulaC9H19O3P
Molecular Weight206.22 g/mol
Exact Mass206.11
IUPAC Name1-[prop-2-enyl(propoxy)phosphoryl]oxypropane
SMILESC=CCP(=O)(OCCC)OCCC
InChIInChI=1S/C9H19O3P/c1-4-7-11-13(10,9-6-3)12-8-5-2/h6H,3-5,7-9H2,1-2H3
InChIKeyOOXBRJQYWGFNJB-UHFFFAOYSA-N
XLogP3.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 53.22
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 1-[prop-2-enyl(propoxy)phosphoryl]oxypropane?
The IUPAC name of 1-[prop-2-enyl(propoxy)phosphoryl]oxypropane (CID 12844418) is 1-[prop-2-enyl(propoxy)phosphoryl]oxypropane.
What is the SMILES notation for 1-[prop-2-enyl(propoxy)phosphoryl]oxypropane?
The canonical SMILES for 1-[prop-2-enyl(propoxy)phosphoryl]oxypropane is C=CCP(=O)(OCCC)OCCC.
What is the InChIKey of 1-[prop-2-enyl(propoxy)phosphoryl]oxypropane?
The InChIKey is OOXBRJQYWGFNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O3P/c1-4-7-11-13(10,9-6-3)12-8-5-2/h6H,3-5,7-9H2,1-2H3.
What are the key properties of 1-[prop-2-enyl(propoxy)phosphoryl]oxypropane?
1-[prop-2-enyl(propoxy)phosphoryl]oxypropane has a molecular weight of 206.22 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[prop-2-enyl(propoxy)phosphoryl]oxypropane is sourced from PubChem (CID 12844418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).