2-[ethoxy(2-methoxyethoxy)phosphoryl]propane

C8H19O4P — CID 547060

IUPAC2-[ethoxy(2-methoxyethoxy)phosphoryl]propane
SMILESCCOP(=O)(OCCOC)C(C)C
InChIInChI=1S/C8H19O4P/c1-5-11-13(9,8(2)3)12-7-6-10-4/h8H,5-7H2,1-4H3
InChIKeyQMOHWQGGBMXYCI-UHFFFAOYSA-N
MW210.21 g/mol
LogP2.29
Rot. Bonds7

About 2-[ethoxy(2-methoxyethoxy)phosphoryl]propane

2-[ethoxy(2-methoxyethoxy)phosphoryl]propane (PubChem CID 547060) has the molecular formula C8H19O4P and a molecular weight of 210.21 g/mol. Its IUPAC name is 2-[ethoxy(2-methoxyethoxy)phosphoryl]propane.

Molecular Properties

Compound Name2-[ethoxy(2-methoxyethoxy)phosphoryl]propane
PubChem CID547060
Molecular FormulaC8H19O4P
Molecular Weight210.21 g/mol
Exact Mass210.10
IUPAC Name2-[ethoxy(2-methoxyethoxy)phosphoryl]propane
SMILESCCOP(=O)(OCCOC)C(C)C
InChIInChI=1S/C8H19O4P/c1-5-11-13(9,8(2)3)12-7-6-10-4/h8H,5-7H2,1-4H3
InChIKeyQMOHWQGGBMXYCI-UHFFFAOYSA-N
XLogP2.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethanol, 2-methoxy-, 1,1',1''-phosphate
CID 22542
Phosphonic acid, (2-ethoxyethyl)-, diethyl ester
CID 199879
Dipropyl propylphosphonate
CID 580563
Diethyl butylphosphonate
CID 2773687
Phosphonic acid, trimethylenedi-, tetraethyl ester
CID 519945
Ethanol, 2-propoxy-, phosphate (3:1)
CID 45451
1,1-Bis(diethoxyphosphoryl)propane
CID 11012530
1,1-Bis(diethoxyphosphoryl)butane
CID 13612976
Bis(2-methoxyethyl) methylphosphonate
CID 547065
Ethyl 2-methoxyethyl methylphosphonate
CID 547072
Tetraethyl butane-1,4-diylbis(phosphonate)
CID 596862
Phosphonic acid, butyl-, monoethyl ester, anhydride with diethyl phosphate
CID 96444

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(2-methoxyethoxy)phosphoryl]propane?
The IUPAC name of 2-[ethoxy(2-methoxyethoxy)phosphoryl]propane (CID 547060) is 2-[ethoxy(2-methoxyethoxy)phosphoryl]propane.
What is the SMILES notation for 2-[ethoxy(2-methoxyethoxy)phosphoryl]propane?
The canonical SMILES for 2-[ethoxy(2-methoxyethoxy)phosphoryl]propane is CCOP(=O)(OCCOC)C(C)C.
What is the InChIKey of 2-[ethoxy(2-methoxyethoxy)phosphoryl]propane?
The InChIKey is QMOHWQGGBMXYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O4P/c1-5-11-13(9,8(2)3)12-7-6-10-4/h8H,5-7H2,1-4H3.
What are the key properties of 2-[ethoxy(2-methoxyethoxy)phosphoryl]propane?
2-[ethoxy(2-methoxyethoxy)phosphoryl]propane has a molecular weight of 210.21 g/mol, XLogP of 2.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(2-methoxyethoxy)phosphoryl]propane is sourced from PubChem (CID 547060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).