1-(2-diethoxyphosphorylethoxy)-2-(2-iodoethoxy)ethane

C10H22IO5P — CID 86667775

IUPAC1-(2-diethoxyphosphorylethoxy)-2-(2-iodoethoxy)ethane
SMILESCCOP(=O)(CCOCCOCCI)OCC
InChIInChI=1S/C10H22IO5P/c1-3-15-17(12,16-4-2)10-9-14-8-7-13-6-5-11/h3-10H2,1-2H3
InChIKeyBZPXVNBSNXWGCX-UHFFFAOYSA-N
MW380.16 g/mol
LogP2.72
Rot. Bonds12

About 1-(2-diethoxyphosphorylethoxy)-2-(2-iodoethoxy)ethane

1-(2-diethoxyphosphorylethoxy)-2-(2-iodoethoxy)ethane (PubChem CID 86667775) has the molecular formula C10H22IO5P and a molecular weight of 380.16 g/mol. Its IUPAC name is 1-(2-diethoxyphosphorylethoxy)-2-(2-iodoethoxy)ethane.

Molecular Properties

Compound Name1-(2-diethoxyphosphorylethoxy)-2-(2-iodoethoxy)ethane
PubChem CID86667775
Molecular FormulaC10H22IO5P
Molecular Weight380.16 g/mol
Exact Mass380.02
IUPAC Name1-(2-diethoxyphosphorylethoxy)-2-(2-iodoethoxy)ethane
SMILESCCOP(=O)(CCOCCOCCI)OCC
InChIInChI=1S/C10H22IO5P/c1-3-15-17(12,16-4-2)10-9-14-8-7-13-6-5-11/h3-10H2,1-2H3
InChIKeyBZPXVNBSNXWGCX-UHFFFAOYSA-N
XLogP2.72
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.16
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 138625033
1-(2-diethoxyphosphorylethoxy)-2,2-dimethylpropane
CID 21027105
3-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne
CID 130320253
3-(2-diethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane
CID 88949671
2-diethoxyphosphorylethoxymethylcyclopentane
CID 174164242
2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethyl 4-methylbenzenesulfonate
CID 138597163
ethyl N-(2-diethoxyphosphorylethoxymethyl)carbamate
CID 71365690
2-diethoxyphosphorylethanamine;hydrochloride
CID 21435836
1-diethoxyphosphoryldecane
CID 2773697
2-deuterio-1-diethoxyphosphorylbutane
CID 102385353
1-diethoxyphosphorylundecane
CID 57360026
1,5-bis(diethoxyphosphoryl)pentan-3-one
CID 12030147

Frequently Asked Questions

What is the IUPAC name of 1-(2-diethoxyphosphorylethoxy)-2-(2-iodoethoxy)ethane?
The IUPAC name of 1-(2-diethoxyphosphorylethoxy)-2-(2-iodoethoxy)ethane (CID 86667775) is 1-(2-diethoxyphosphorylethoxy)-2-(2-iodoethoxy)ethane.
What is the SMILES notation for 1-(2-diethoxyphosphorylethoxy)-2-(2-iodoethoxy)ethane?
The canonical SMILES for 1-(2-diethoxyphosphorylethoxy)-2-(2-iodoethoxy)ethane is CCOP(=O)(CCOCCOCCI)OCC.
What is the InChIKey of 1-(2-diethoxyphosphorylethoxy)-2-(2-iodoethoxy)ethane?
The InChIKey is BZPXVNBSNXWGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22IO5P/c1-3-15-17(12,16-4-2)10-9-14-8-7-13-6-5-11/h3-10H2,1-2H3.
What are the key properties of 1-(2-diethoxyphosphorylethoxy)-2-(2-iodoethoxy)ethane?
1-(2-diethoxyphosphorylethoxy)-2-(2-iodoethoxy)ethane has a molecular weight of 380.16 g/mol, XLogP of 2.72, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diethoxyphosphorylethoxy)-2-(2-iodoethoxy)ethane is sourced from PubChem (CID 86667775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).