2-(2-deuteriooxyethoxy)ethoxy-ethoxy-methylphosphane

C7H17O4P — CID 59925688

IUPAC2-(2-deuteriooxyethoxy)ethoxy-ethoxy-methylphosphane
SMILES[2H]OCCOCCOP(C)OCC
InChIInChI=1S/C7H17O4P/c1-3-10-12(2)11-7-6-9-5-4-8/h8H,3-7H2,1-2H3/i8D
InChIKeyMWNYNUOWQUCBCA-BNEYPBHNSA-N
MW197.19 g/mol
LogP0.99
Rot. Bonds9

About 2-(2-deuteriooxyethoxy)ethoxy-ethoxy-methylphosphane

2-(2-deuteriooxyethoxy)ethoxy-ethoxy-methylphosphane (PubChem CID 59925688) has the molecular formula C7H17O4P and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(2-deuteriooxyethoxy)ethoxy-ethoxy-methylphosphane.

Molecular Properties

Compound Name2-(2-deuteriooxyethoxy)ethoxy-ethoxy-methylphosphane
PubChem CID59925688
Molecular FormulaC7H17O4P
Molecular Weight197.19 g/mol
Exact Mass197.09
IUPAC Name2-(2-deuteriooxyethoxy)ethoxy-ethoxy-methylphosphane
SMILES[2H]OCCOCCOP(C)OCC
InChIInChI=1S/C7H17O4P/c1-3-10-12(2)11-7-6-9-5-4-8/h8H,3-7H2,1-2H3/i8D
InChIKeyMWNYNUOWQUCBCA-BNEYPBHNSA-N
XLogP0.99
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.99
H-Bond Donors ≤ 51
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

2-(2-deuteriooxyethoxy)ethoxy-dimethylphosphane
CID 59925693
1-deuteriooxy-2-[2-[ethoxy(methyl)phosphoryl]oxyethoxy]ethane
CID 59925689
[2-[2-[2-[2-(2-deuteriooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy-[di(propan-2-yl)amino]phosphanyl] N-ethylmethanimidate
CID 171599714
2-(2-ethoxyethoxy)ethanol;methanol
CID 87987109
bis(2-(2-ethoxyethoxy)ethanol);hydrate
CID 87793690
calcium;2-(2-ethoxyethoxy)ethanol;hydride
CID 174899431
ethoxyethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methoxymethane
CID 18993831
ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159638520
ethane-1,2-diol;2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethanol;methoxymethane
CID 23133360
2-(2-hydroxyethoxy)ethanol;methoxyethane;2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 175424944
2-(2-hydroxyethoxy)ethanol;methoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane
CID 174794611
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20613004

Frequently Asked Questions

What is the IUPAC name of 2-(2-deuteriooxyethoxy)ethoxy-ethoxy-methylphosphane?
The IUPAC name of 2-(2-deuteriooxyethoxy)ethoxy-ethoxy-methylphosphane (CID 59925688) is 2-(2-deuteriooxyethoxy)ethoxy-ethoxy-methylphosphane.
What is the SMILES notation for 2-(2-deuteriooxyethoxy)ethoxy-ethoxy-methylphosphane?
The canonical SMILES for 2-(2-deuteriooxyethoxy)ethoxy-ethoxy-methylphosphane is [2H]OCCOCCOP(C)OCC.
What is the InChIKey of 2-(2-deuteriooxyethoxy)ethoxy-ethoxy-methylphosphane?
The InChIKey is MWNYNUOWQUCBCA-BNEYPBHNSA-N. The full InChI is InChI=1S/C7H17O4P/c1-3-10-12(2)11-7-6-9-5-4-8/h8H,3-7H2,1-2H3/i8D.
What are the key properties of 2-(2-deuteriooxyethoxy)ethoxy-ethoxy-methylphosphane?
2-(2-deuteriooxyethoxy)ethoxy-ethoxy-methylphosphane has a molecular weight of 197.19 g/mol, XLogP of 0.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-deuteriooxyethoxy)ethoxy-ethoxy-methylphosphane is sourced from PubChem (CID 59925688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).