dimethoxyphosphorylcyclopropane

C5H11O3P — CID 175710537

IUPACdimethoxyphosphorylcyclopropane
SMILESCOP(=O)(OC)C1CC1
InChIInChI=1S/C5H11O3P/c1-7-9(6,8-2)5-3-4-5/h5H,3-4H2,1-2H3
InChIKeyLVSHFBRMTSPGRV-UHFFFAOYSA-N
MW150.11 g/mol
LogP1.63
Rot. Bonds3

About dimethoxyphosphorylcyclopropane

dimethoxyphosphorylcyclopropane (PubChem CID 175710537) has the molecular formula C5H11O3P and a molecular weight of 150.11 g/mol. Its IUPAC name is dimethoxyphosphorylcyclopropane.

Molecular Properties

Compound Namedimethoxyphosphorylcyclopropane
PubChem CID175710537
Molecular FormulaC5H11O3P
Molecular Weight150.11 g/mol
Exact Mass150.04
IUPAC Namedimethoxyphosphorylcyclopropane
SMILESCOP(=O)(OC)C1CC1
InChIInChI=1S/C5H11O3P/c1-7-9(6,8-2)5-3-4-5/h5H,3-4H2,1-2H3
InChIKeyLVSHFBRMTSPGRV-UHFFFAOYSA-N
XLogP1.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.11
LogP ≤ 51.63
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 dimethoxyphosphorylcyclopropane?
The IUPAC name of dimethoxyphosphorylcyclopropane (CID 175710537) is dimethoxyphosphorylcyclopropane.
What is the SMILES notation for dimethoxyphosphorylcyclopropane?
The canonical SMILES for dimethoxyphosphorylcyclopropane is COP(=O)(OC)C1CC1.
What is the InChIKey of dimethoxyphosphorylcyclopropane?
The InChIKey is LVSHFBRMTSPGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O3P/c1-7-9(6,8-2)5-3-4-5/h5H,3-4H2,1-2H3.
What are the key properties of dimethoxyphosphorylcyclopropane?
dimethoxyphosphorylcyclopropane has a molecular weight of 150.11 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxyphosphorylcyclopropane is sourced from PubChem (CID 175710537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).