1-diethoxyphosphoryl-1-ethoxy-2-methylpropane

C10H23O4P — CID 14685423

IUPAC1-diethoxyphosphoryl-1-ethoxy-2-methylpropane
SMILESCCOC(C(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C10H23O4P/c1-6-12-10(9(4)5)15(11,13-7-2)14-8-3/h9-10H,6-8H2,1-5H3
InChIKeyGFWYNAMIROXUQQ-UHFFFAOYSA-N
MW238.26 g/mol
LogP3.27
Rot. Bonds8

About 1-diethoxyphosphoryl-1-ethoxy-2-methylpropane

1-diethoxyphosphoryl-1-ethoxy-2-methylpropane (PubChem CID 14685423) has the molecular formula C10H23O4P and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-1-ethoxy-2-methylpropane.

Molecular Properties

Compound Name1-diethoxyphosphoryl-1-ethoxy-2-methylpropane
PubChem CID14685423
Molecular FormulaC10H23O4P
Molecular Weight238.26 g/mol
Exact Mass238.13
IUPAC Name1-diethoxyphosphoryl-1-ethoxy-2-methylpropane
SMILESCCOC(C(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C10H23O4P/c1-6-12-10(9(4)5)15(11,13-7-2)14-8-3/h9-10H,6-8H2,1-5H3
InChIKeyGFWYNAMIROXUQQ-UHFFFAOYSA-N
XLogP3.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-diethoxyphosphoryl-1-ethoxy-2-methylpropane?
The IUPAC name of 1-diethoxyphosphoryl-1-ethoxy-2-methylpropane (CID 14685423) is 1-diethoxyphosphoryl-1-ethoxy-2-methylpropane.
What is the SMILES notation for 1-diethoxyphosphoryl-1-ethoxy-2-methylpropane?
The canonical SMILES for 1-diethoxyphosphoryl-1-ethoxy-2-methylpropane is CCOC(C(C)C)P(=O)(OCC)OCC.
What is the InChIKey of 1-diethoxyphosphoryl-1-ethoxy-2-methylpropane?
The InChIKey is GFWYNAMIROXUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O4P/c1-6-12-10(9(4)5)15(11,13-7-2)14-8-3/h9-10H,6-8H2,1-5H3.
What are the key properties of 1-diethoxyphosphoryl-1-ethoxy-2-methylpropane?
1-diethoxyphosphoryl-1-ethoxy-2-methylpropane has a molecular weight of 238.26 g/mol, XLogP of 3.27, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-1-ethoxy-2-methylpropane is sourced from PubChem (CID 14685423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).