2-dimethoxyphosphorylpropane

C5H13O3P — CID 573520

IUPAC2-dimethoxyphosphorylpropane
SMILESCOP(=O)(OC)C(C)C
InChIInChI=1S/C5H13O3P/c1-5(2)9(6,7-3)8-4/h5H,1-4H3
InChIKeyWETUVMMRZWQXIK-UHFFFAOYSA-N
MW152.13 g/mol
LogP1.88
Rot. Bonds3

About 2-dimethoxyphosphorylpropane

2-dimethoxyphosphorylpropane (PubChem CID 573520) has the molecular formula C5H13O3P and a molecular weight of 152.13 g/mol. Its IUPAC name is 2-dimethoxyphosphorylpropane.

Molecular Properties

Compound Name2-dimethoxyphosphorylpropane
PubChem CID573520
Molecular FormulaC5H13O3P
Molecular Weight152.13 g/mol
Exact Mass152.06
IUPAC Name2-dimethoxyphosphorylpropane
SMILESCOP(=O)(OC)C(C)C
InChIInChI=1S/C5H13O3P/c1-5(2)9(6,7-3)8-4/h5H,1-4H3
InChIKeyWETUVMMRZWQXIK-UHFFFAOYSA-N
XLogP1.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 51.88
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 2-dimethoxyphosphorylpropane?
The IUPAC name of 2-dimethoxyphosphorylpropane (CID 573520) is 2-dimethoxyphosphorylpropane.
What is the SMILES notation for 2-dimethoxyphosphorylpropane?
The canonical SMILES for 2-dimethoxyphosphorylpropane is COP(=O)(OC)C(C)C.
What is the InChIKey of 2-dimethoxyphosphorylpropane?
The InChIKey is WETUVMMRZWQXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O3P/c1-5(2)9(6,7-3)8-4/h5H,1-4H3.
What are the key properties of 2-dimethoxyphosphorylpropane?
2-dimethoxyphosphorylpropane has a molecular weight of 152.13 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphorylpropane is sourced from PubChem (CID 573520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).