1-[[chloro(dideuterio)methyl]-ethoxyphosphoryl]propane

C6H14ClO2P — CID 10330081

IUPAC1-[[chloro(dideuterio)methyl]-ethoxyphosphoryl]propane
SMILES[2H]C([2H])(Cl)P(=O)(CCC)OCC
InChIInChI=1S/C6H14ClO2P/c1-3-5-10(8,6-7)9-4-2/h3-6H2,1-2H3/i6D2
InChIKeyOLYGOCROOHBHRM-NCYHJHSESA-N
MW186.62 g/mol
LogP2.91
Rot. Bonds5

About 1-[[chloro(dideuterio)methyl]-ethoxyphosphoryl]propane

1-[[chloro(dideuterio)methyl]-ethoxyphosphoryl]propane (PubChem CID 10330081) has the molecular formula C6H14ClO2P and a molecular weight of 186.62 g/mol. Its IUPAC name is 1-[[chloro(dideuterio)methyl]-ethoxyphosphoryl]propane.

Molecular Properties

Compound Name1-[[chloro(dideuterio)methyl]-ethoxyphosphoryl]propane
PubChem CID10330081
Molecular FormulaC6H14ClO2P
Molecular Weight186.62 g/mol
Exact Mass186.05
IUPAC Name1-[[chloro(dideuterio)methyl]-ethoxyphosphoryl]propane
SMILES[2H]C([2H])(Cl)P(=O)(CCC)OCC
InChIInChI=1S/C6H14ClO2P/c1-3-5-10(8,6-7)9-4-2/h3-6H2,1-2H3/i6D2
InChIKeyOLYGOCROOHBHRM-NCYHJHSESA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.62
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[chloro(dideuterio)methyl]-ethoxyphosphoryl]propane?
The IUPAC name of 1-[[chloro(dideuterio)methyl]-ethoxyphosphoryl]propane (CID 10330081) is 1-[[chloro(dideuterio)methyl]-ethoxyphosphoryl]propane.
What is the SMILES notation for 1-[[chloro(dideuterio)methyl]-ethoxyphosphoryl]propane?
The canonical SMILES for 1-[[chloro(dideuterio)methyl]-ethoxyphosphoryl]propane is [2H]C([2H])(Cl)P(=O)(CCC)OCC.
What is the InChIKey of 1-[[chloro(dideuterio)methyl]-ethoxyphosphoryl]propane?
The InChIKey is OLYGOCROOHBHRM-NCYHJHSESA-N. The full InChI is InChI=1S/C6H14ClO2P/c1-3-5-10(8,6-7)9-4-2/h3-6H2,1-2H3/i6D2.
What are the key properties of 1-[[chloro(dideuterio)methyl]-ethoxyphosphoryl]propane?
1-[[chloro(dideuterio)methyl]-ethoxyphosphoryl]propane has a molecular weight of 186.62 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[chloro(dideuterio)methyl]-ethoxyphosphoryl]propane is sourced from PubChem (CID 10330081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).