1-[prop-1-en-2-yl(propoxy)phosphoryl]oxypropane

C9H19O3P — CID 15103915

IUPAC1-[prop-1-en-2-yl(propoxy)phosphoryl]oxypropane
SMILESC=C(C)P(=O)(OCCC)OCCC
InChIInChI=1S/C9H19O3P/c1-5-7-11-13(10,9(3)4)12-8-6-2/h3,5-8H2,1-2,4H3
InChIKeyOFYUCOGIONGBJJ-UHFFFAOYSA-N
MW206.22 g/mol
LogP3.57
Rot. Bonds7

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

1-[prop-1-en-2-yl(propoxy)phosphoryl]oxypropane (PubChem CID 15103915) has the molecular formula C9H19O3P and a molecular weight of 206.22 g/mol. Its IUPAC name is 1-[prop-1-en-2-yl(propoxy)phosphoryl]oxypropane.

Molecular Properties

Compound Name1-[prop-1-en-2-yl(propoxy)phosphoryl]oxypropane
PubChem CID15103915
Molecular FormulaC9H19O3P
Molecular Weight206.22 g/mol
Exact Mass206.11
IUPAC Name1-[prop-1-en-2-yl(propoxy)phosphoryl]oxypropane
SMILESC=C(C)P(=O)(OCCC)OCCC
InChIInChI=1S/C9H19O3P/c1-5-7-11-13(10,9(3)4)12-8-6-2/h3,5-8H2,1-2,4H3
InChIKeyOFYUCOGIONGBJJ-UHFFFAOYSA-N
XLogP3.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[prop-1-en-2-yl(propoxy)phosphoryl]oxypropane?
The IUPAC name of 1-[prop-1-en-2-yl(propoxy)phosphoryl]oxypropane (CID 15103915) is 1-[prop-1-en-2-yl(propoxy)phosphoryl]oxypropane.
What is the SMILES notation for 1-[prop-1-en-2-yl(propoxy)phosphoryl]oxypropane?
The canonical SMILES for 1-[prop-1-en-2-yl(propoxy)phosphoryl]oxypropane is C=C(C)P(=O)(OCCC)OCCC.
What is the InChIKey of 1-[prop-1-en-2-yl(propoxy)phosphoryl]oxypropane?
The InChIKey is OFYUCOGIONGBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O3P/c1-5-7-11-13(10,9(3)4)12-8-6-2/h3,5-8H2,1-2,4H3.
What are the key properties of 1-[prop-1-en-2-yl(propoxy)phosphoryl]oxypropane?
1-[prop-1-en-2-yl(propoxy)phosphoryl]oxypropane has a molecular weight of 206.22 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[prop-1-en-2-yl(propoxy)phosphoryl]oxypropane is sourced from PubChem (CID 15103915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).